7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C168H174F4N24O14 — CID 167629502

IUPAC7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CC4(CCCO4)C3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC(F)(F)C3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC(F)(F)CC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCCC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCCC3C)cc1)C(=O)C2.COCC1(N(C)C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)CC1
InChIInChI=1S/C29H30N4O3.C29H32N4O3.C28H28F2N4O2.C28H30N4O2.C27H26F2N4O2.C27H28N4O2/c1-19(2)23-6-3-4-7-24(23)26-30-15-22-14-25(34)33(27(22)31-26)16-20-8-10-21(11-9-20)28(35)32-17-29(18-32)12-5-13-36-29;1-19(2)23-7-5-6-8-24(23)26-30-16-22-15-25(34)33(27(22)31-26)17-20-9-11-21(12-10-20)28(35)32(3)29(13-14-29)18-36-4;1-18(2)22-5-3-4-6-23(22)25-31-16-21-15-24(35)34(26(21)32-25)17-19-7-9-20(10-8-19)27(36)33-13-11-28(29,30)12-14-33;1-18(2)23-8-4-5-9-24(23)26-29-16-22-15-25(33)32(27(22)30-26)17-20-10-12-21(13-11-20)28(34)31-14-6-7-19(31)3;1-17(2)21-5-3-4-6-22(21)24-30-14-20-13-23(34)33(25(20)31-24)15-18-7-9-19(10-8-18)26(35)32-12-11-27(28,29)16-32;1-18(2)22-7-3-4-8-23(22)25-28-16-21-15-24(32)31(26(21)29-25)17-19-9-11-20(12-10-19)27(33)30-13-5-6-14-30/h3-4,6-11,15,19H,5,12-14,16-18H2,1-2H3;5-12,16,19H,13-15,17-18H2,1-4H3;3-10,16,18H,11-15,17H2,1-2H3;4-5,8-13,16,18-19H,6-7,14-15,17H2,1-3H3;3-10,14,17H,11-13,15-16H2,1-2H3;3-4,7-12,16,18H,5-6,13-15,17H2,1-2H3
InChIKeyNOZBFQUCWFLTTL-UHFFFAOYSA-N
MW2829.39 g/mol
LogP28.61
Rot. Bonds33

About 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 167629502) has the molecular formula C168H174F4N24O14 and a molecular weight of 2829.39 g/mol. Its IUPAC name is 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID167629502
Molecular FormulaC168H174F4N24O14
Molecular Weight2829.39 g/mol
Exact Mass2827.36
IUPAC Name7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CC4(CCCO4)C3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC(F)(F)C3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC(F)(F)CC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCCC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCCC3C)cc1)C(=O)C2.COCC1(N(C)C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)CC1
InChIInChI=1S/C29H30N4O3.C29H32N4O3.C28H28F2N4O2.C28H30N4O2.C27H26F2N4O2.C27H28N4O2/c1-19(2)23-6-3-4-7-24(23)26-30-15-22-14-25(34)33(27(22)31-26)16-20-8-10-21(11-9-20)28(35)32-17-29(18-32)12-5-13-36-29;1-19(2)23-7-5-6-8-24(23)26-30-16-22-15-25(34)33(27(22)31-26)17-20-9-11-21(12-10-20)28(35)32(3)29(13-14-29)18-36-4;1-18(2)22-5-3-4-6-23(22)25-31-16-21-15-24(35)34(26(21)32-25)17-19-7-9-20(10-8-19)27(36)33-13-11-28(29,30)12-14-33;1-18(2)23-8-4-5-9-24(23)26-29-16-22-15-25(33)32(27(22)30-26)17-20-10-12-21(13-11-20)28(34)31-14-6-7-19(31)3;1-17(2)21-5-3-4-6-22(21)24-30-14-20-13-23(34)33(25(20)31-24)15-18-7-9-19(10-8-18)26(35)32-12-11-27(28,29)16-32;1-18(2)22-7-3-4-8-23(22)25-28-16-21-15-24(32)31(26(21)29-25)17-19-9-11-20(12-10-19)27(33)30-13-5-6-14-30/h3-4,6-11,15,19H,5,12-14,16-18H2,1-2H3;5-12,16,19H,13-15,17-18H2,1-4H3;3-10,16,18H,11-15,17H2,1-2H3;4-5,8-13,16,18-19H,6-7,14-15,17H2,1-3H3;3-10,14,17H,11-13,15-16H2,1-2H3;3-4,7-12,16,18H,5-6,13-15,17H2,1-2H3
InChIKeyNOZBFQUCWFLTTL-UHFFFAOYSA-N
XLogP28.61
TPSA416.86 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds33
Heavy Atoms210
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002829.39
LogP ≤ 528.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 167629502) is 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CC4(CCCO4)C3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC(F)(F)C3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC(F)(F)CC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCCC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCCC3C)cc1)C(=O)C2.COCC1(N(C)C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)CC1.
What is the InChIKey of 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is NOZBFQUCWFLTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3.C29H32N4O3.C28H28F2N4O2.C28H30N4O2.C27H26F2N4O2.C27H28N4O2/c1-19(2)23-6-3-4-7-24(23)26-30-15-22-14-25(34)33(27(22)31-26)16-20-8-10-21(11-9-20)28(35)32-17-29(18-32)12-5-13-36-29;1-19(2)23-7-5-6-8-24(23)26-30-16-22-15-25(34)33(27(22)31-26)17-20-9-11-21(12-10-20)28(35)32(3)29(13-14-29)18-36-4;1-18(2)22-5-3-4-6-23(22)25-31-16-21-15-24(35)34(26(21)32-25)17-19-7-9-20(10-8-19)27(36)33-13-11-28(29,30)12-14-33;1-18(2)23-8-4-5-9-24(23)26-29-16-22-15-25(33)32(27(22)30-26)17-20-10-12-21(13-11-20)28(34)31-14-6-7-19(31)3;1-17(2)21-5-3-4-6-22(21)24-30-14-20-13-23(34)33(25(20)31-24)15-18-7-9-19(10-8-18)26(35)32-12-11-27(28,29)16-32;1-18(2)22-7-3-4-8-23(22)25-28-16-21-15-24(32)31(26(21)29-25)17-19-9-11-20(12-10-19)27(33)30-13-5-6-14-30/h3-4,6-11,15,19H,5,12-14,16-18H2,1-2H3;5-12,16,19H,13-15,17-18H2,1-4H3;3-10,16,18H,11-15,17H2,1-2H3;4-5,8-13,16,18-19H,6-7,14-15,17H2,1-3H3;3-10,14,17H,11-13,15-16H2,1-2H3;3-4,7-12,16,18H,5-6,13-15,17H2,1-2H3.
What are the key properties of 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2829.39 g/mol, XLogP of 28.61, 33 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 167629502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).