1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C117H124N34O12 — CID 157106684

IUPAC1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(C2CCN(C(=O)c3ncn[nH]3)CC2)nc2c(-c3ccc(-c4ccn(C)c4)nc3)cnn2c1N.CCc1cc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)C(C)(CO)CO)CC5)nc34)cn2)ccc1OC.CCc1cc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)ccc1OC.CCc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)cc1
InChIInChI=1S/C32H38N6O5.C30H31N9O3.C29H29N9O2.C26H26N10O2/c1-5-20-14-22(7-9-26(20)43-4)25-8-6-23(15-34-25)24-16-35-38-29(33)27(19(2)41)28(36-30(24)38)21-10-12-37(13-11-21)31(42)32(3,17-39)18-40;1-4-18-13-20(6-8-24(18)42-3)23-7-5-21(14-32-23)22-15-35-39-27(31)25(17(2)40)26(36-29(22)39)19-9-11-38(12-10-19)30(41)28-33-16-34-37-28;1-3-18-4-6-19(7-5-18)23-9-8-21(14-31-23)22-15-34-38-26(30)24(17(2)39)25(35-28(22)38)20-10-12-37(13-11-20)29(40)27-32-16-33-36-27;1-15(37)21-22(16-6-9-35(10-7-16)26(38)24-29-14-30-33-24)32-25-19(12-31-36(25)23(21)27)17-3-4-20(28-11-17)18-5-8-34(2)13-18/h6-9,14-16,21,39-40H,5,10-13,17-18,33H2,1-4H3;5-8,13-16,19H,4,9-12,31H2,1-3H3,(H,33,34,37);4-9,14-16,20H,3,10-13,30H2,1-2H3,(H,32,33,36);3-5,8,11-14,16H,6-7,9-10,27H2,1-2H3,(H,29,30,33)
InChIKeyAGJNSVDPNMCCQO-UHFFFAOYSA-N
MW2198.50 g/mol
LogP14.13
Rot. Bonds27

About 1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 157106684) has the molecular formula C117H124N34O12 and a molecular weight of 2198.50 g/mol. Its IUPAC name is 1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID157106684
Molecular FormulaC117H124N34O12
Molecular Weight2198.50 g/mol
Exact Mass2197.01
IUPAC Name1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(C2CCN(C(=O)c3ncn[nH]3)CC2)nc2c(-c3ccc(-c4ccn(C)c4)nc3)cnn2c1N.CCc1cc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)C(C)(CO)CO)CC5)nc34)cn2)ccc1OC.CCc1cc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)ccc1OC.CCc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)cc1
InChIInChI=1S/C32H38N6O5.C30H31N9O3.C29H29N9O2.C26H26N10O2/c1-5-20-14-22(7-9-26(20)43-4)25-8-6-23(15-34-25)24-16-35-38-29(33)27(19(2)41)28(36-30(24)38)21-10-12-37(13-11-21)31(42)32(3,17-39)18-40;1-4-18-13-20(6-8-24(18)42-3)23-7-5-21(14-32-23)22-15-35-39-27(31)25(17(2)40)26(36-29(22)39)19-9-11-38(12-10-19)30(41)28-33-16-34-37-28;1-3-18-4-6-19(7-5-18)23-9-8-21(14-31-23)22-15-34-38-26(30)24(17(2)39)25(35-28(22)38)20-10-12-37(13-11-20)29(40)27-32-16-33-36-27;1-15(37)21-22(16-6-9-35(10-7-16)26(38)24-29-14-30-33-24)32-25-19(12-31-36(25)23(21)27)17-3-4-20(28-11-17)18-5-8-34(2)13-18/h6-9,14-16,21,39-40H,5,10-13,17-18,33H2,1-4H3;5-8,13-16,19H,4,9-12,31H2,1-3H3,(H,33,34,37);4-9,14-16,20H,3,10-13,30H2,1-2H3,(H,32,33,36);3-5,8,11-14,16H,6-7,9-10,27H2,1-2H3,(H,29,30,33)
InChIKeyAGJNSVDPNMCCQO-UHFFFAOYSA-N
XLogP14.13
TPSA614.48 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds27
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002198.50
LogP ≤ 514.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Analyze 1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[7-amino-3-[6-(2,3-difluoro-4-methoxyphenyl)-3-pyridinyl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294414
1-[7-amino-5-[(1R,5S)-8-(3-amino-1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294477
1-[7-amino-3-[6-[4-(difluoromethoxy)phenyl]pyridin-3-yl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294486
1-[7-amino-3-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67295116
1-[7-amino-3-[6-(2,5-difluoro-4-methoxyphenyl)-3-pyridinyl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67295336
1-[7-amino-3-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67295368
1-[7-amino-3-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 68072343
1-[7-amino-3-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-5-[(5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 68272794
1-[7-amino-3-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 68272966
1-[7-amino-3-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 118629369
13-amino-5-[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-8-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
CID 121366925
(4-Hydroxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-(hydroxymethyl)-4-propan-2-yloxybenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 157592699

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 157106684) is 1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(C2CCN(C(=O)c3ncn[nH]3)CC2)nc2c(-c3ccc(-c4ccn(C)c4)nc3)cnn2c1N.CCc1cc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)C(C)(CO)CO)CC5)nc34)cn2)ccc1OC.CCc1cc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)ccc1OC.CCc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)cc1.
What is the InChIKey of 1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is AGJNSVDPNMCCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O5.C30H31N9O3.C29H29N9O2.C26H26N10O2/c1-5-20-14-22(7-9-26(20)43-4)25-8-6-23(15-34-25)24-16-35-38-29(33)27(19(2)41)28(36-30(24)38)21-10-12-37(13-11-21)31(42)32(3,17-39)18-40;1-4-18-13-20(6-8-24(18)42-3)23-7-5-21(14-32-23)22-15-35-39-27(31)25(17(2)40)26(36-29(22)39)19-9-11-38(12-10-19)30(41)28-33-16-34-37-28;1-3-18-4-6-19(7-5-18)23-9-8-21(14-31-23)22-15-34-38-26(30)24(17(2)39)25(35-28(22)38)20-10-12-37(13-11-20)29(40)27-32-16-33-36-27;1-15(37)21-22(16-6-9-35(10-7-16)26(38)24-29-14-30-33-24)32-25-19(12-31-36(25)23(21)27)17-3-4-20(28-11-17)18-5-8-34(2)13-18/h6-9,14-16,21,39-40H,5,10-13,17-18,33H2,1-4H3;5-8,13-16,19H,4,9-12,31H2,1-3H3,(H,33,34,37);4-9,14-16,20H,3,10-13,30H2,1-2H3,(H,32,33,36);3-5,8,11-14,16H,6-7,9-10,27H2,1-2H3,(H,29,30,33).
What are the key properties of 1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 2198.50 g/mol, XLogP of 14.13, 27 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-3-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 157106684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).