4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide

C186H193Br6N33O18 — CID 164963413

IUPAC4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-n2c(-n3cc(C4CC4)cn3)nc3c(c2=O)C[C@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(-n3ccc(C4CC4)n3)nc3c(c2=O)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(-n3ccc(C4CC4)n3)nc3c(c2=O)C[C@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(C3CCCN3C(C)C)nc3c(c2=O)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(C3CCCN3C(C)C)nc3c(c2=O)C[C@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(N(CC3CC3)c3ccccc3)nc3c(c2=O)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1
InChIInChI=1S/C34H34BrN5O3.2C31H36BrN5O3.3C30H29BrN6O3/c1-21-17-25(13-16-29(21)35)32(42)38-20-30-28(18-22(38)2)33(43)40(27-14-11-24(12-15-27)31(41)36-3)34(37-30)39(19-23-9-10-23)26-7-5-4-6-8-26;2*1-18(2)35-14-6-7-27(35)28-34-26-17-36(30(39)22-10-13-25(32)19(3)15-22)20(4)16-24(26)31(40)37(28)23-11-8-21(9-12-23)29(38)33-5;1-17-12-21(8-11-25(17)31)28(39)35-16-26-24(13-18(35)2)29(40)37(23-9-6-20(7-10-23)27(38)32-3)30(34-26)36-15-22(14-33-36)19-4-5-19;2*1-17-14-21(8-11-24(17)31)28(39)35-16-26-23(15-18(35)2)29(40)37(22-9-6-20(7-10-22)27(38)32-3)30(33-26)36-13-12-25(34-36)19-4-5-19/h4-8,11-17,22-23H,9-10,18-20H2,1-3H3,(H,36,41);2*8-13,15,18,20,27H,6-7,14,16-17H2,1-5H3,(H,33,38);6-12,14-15,18-19H,4-5,13,16H2,1-3H3,(H,32,38);2*6-14,18-19H,4-5,15-16H2,1-3H3,(H,32,38)/t22-;2*20-,27?;3*18-/m110010/s1
InChIKeyCDIYQGPCOFHELC-RYJJRSLMSA-N
MW3658.23 g/mol
LogP28.33
Rot. Bonds32

About 4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide

4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide (PubChem CID 164963413) has the molecular formula C186H193Br6N33O18 and a molecular weight of 3658.23 g/mol. Its IUPAC name is 4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
PubChem CID164963413
Molecular FormulaC186H193Br6N33O18
Molecular Weight3658.23 g/mol
Exact Mass3650.03
IUPAC Name4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-n2c(-n3cc(C4CC4)cn3)nc3c(c2=O)C[C@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(-n3ccc(C4CC4)n3)nc3c(c2=O)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(-n3ccc(C4CC4)n3)nc3c(c2=O)C[C@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(C3CCCN3C(C)C)nc3c(c2=O)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(C3CCCN3C(C)C)nc3c(c2=O)C[C@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(N(CC3CC3)c3ccccc3)nc3c(c2=O)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1
InChIInChI=1S/C34H34BrN5O3.2C31H36BrN5O3.3C30H29BrN6O3/c1-21-17-25(13-16-29(21)35)32(42)38-20-30-28(18-22(38)2)33(43)40(27-14-11-24(12-15-27)31(41)36-3)34(37-30)39(19-23-9-10-23)26-7-5-4-6-8-26;2*1-18(2)35-14-6-7-27(35)28-34-26-17-36(30(39)22-10-13-25(32)19(3)15-22)20(4)16-24(26)31(40)37(28)23-11-8-21(9-12-23)29(38)33-5;1-17-12-21(8-11-25(17)31)28(39)35-16-26-24(13-18(35)2)29(40)37(23-9-6-20(7-10-23)27(38)32-3)30(34-26)36-15-22(14-33-36)19-4-5-19;2*1-17-14-21(8-11-24(17)31)28(39)35-16-26-23(15-18(35)2)29(40)37(22-9-6-20(7-10-22)27(38)32-3)30(33-26)36-13-12-25(34-36)19-4-5-19/h4-8,11-17,22-23H,9-10,18-20H2,1-3H3,(H,36,41);2*8-13,15,18,20,27H,6-7,14,16-17H2,1-5H3,(H,33,38);6-12,14-15,18-19H,4-5,13,16H2,1-3H3,(H,32,38);2*6-14,18-19H,4-5,15-16H2,1-3H3,(H,32,38)/t22-;2*20-,27?;3*18-/m110010/s1
InChIKeyCDIYQGPCOFHELC-RYJJRSLMSA-N
XLogP28.33
TPSA568.98 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds32
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003658.23
LogP ≤ 528.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze 4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide?
The IUPAC name of 4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide (CID 164963413) is 4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide?
The canonical SMILES for 4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide is CNC(=O)c1ccc(-n2c(-n3cc(C4CC4)cn3)nc3c(c2=O)C[C@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(-n3ccc(C4CC4)n3)nc3c(c2=O)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(-n3ccc(C4CC4)n3)nc3c(c2=O)C[C@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(C3CCCN3C(C)C)nc3c(c2=O)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(C3CCCN3C(C)C)nc3c(c2=O)C[C@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.CNC(=O)c1ccc(-n2c(N(CC3CC3)c3ccccc3)nc3c(c2=O)C[C@@H](C)N(C(=O)c2ccc(Br)c(C)c2)C3)cc1.
What is the InChIKey of 4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide?
The InChIKey is CDIYQGPCOFHELC-RYJJRSLMSA-N. The full InChI is InChI=1S/C34H34BrN5O3.2C31H36BrN5O3.3C30H29BrN6O3/c1-21-17-25(13-16-29(21)35)32(42)38-20-30-28(18-22(38)2)33(43)40(27-14-11-24(12-15-27)31(41)36-3)34(37-30)39(19-23-9-10-23)26-7-5-4-6-8-26;2*1-18(2)35-14-6-7-27(35)28-34-26-17-36(30(39)22-10-13-25(32)19(3)15-22)20(4)16-24(26)31(40)37(28)23-11-8-21(9-12-23)29(38)33-5;1-17-12-21(8-11-25(17)31)28(39)35-16-26-24(13-18(35)2)29(40)37(23-9-6-20(7-10-23)27(38)32-3)30(34-26)36-15-22(14-33-36)19-4-5-19;2*1-17-14-21(8-11-24(17)31)28(39)35-16-26-23(15-18(35)2)29(40)37(22-9-6-20(7-10-22)27(38)32-3)30(33-26)36-13-12-25(34-36)19-4-5-19/h4-8,11-17,22-23H,9-10,18-20H2,1-3H3,(H,36,41);2*8-13,15,18,20,27H,6-7,14,16-17H2,1-5H3,(H,33,38);6-12,14-15,18-19H,4-5,13,16H2,1-3H3,(H,32,38);2*6-14,18-19H,4-5,15-16H2,1-3H3,(H,32,38)/t22-;2*20-,27?;3*18-/m110010/s1.
What are the key properties of 4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide?
4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide has a molecular weight of 3658.23 g/mol, XLogP of 28.33, 32 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-[N-(cyclopropylmethyl)anilino]-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-2-(3-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-2-(4-cyclopropylpyrazol-1-yl)-6-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6S)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide;4-[(6R)-7-(4-bromo-3-methylbenzoyl)-6-methyl-4-oxo-2-(1-propan-2-ylpyrrolidin-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 164963413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).