7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C89H91ClN20O9 — CID 162042232

IUPAC7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCCCN(C)C)c4)c3n2)cc(OC)c1OC.COc1ccc(C)c(Nc2ncc3ccn(-c4ccc(Cl)nc4)c3n2)c1.COc1ccccc1Cn1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21
InChIInChI=1S/C28H34N6O4.C23H24N4O4.C19H16ClN5O.C19H17N5/c1-33(2)13-7-6-12-29-27(35)19-9-8-10-22(15-19)34-14-11-20-18-30-28(32-26(20)34)31-21-16-23(36-3)25(38-5)24(17-21)37-4;1-28-18-8-6-5-7-16(18)14-27-10-9-15-13-24-23(26-22(15)27)25-17-11-19(29-2)21(31-4)20(12-17)30-3;1-12-3-5-15(26-2)9-16(12)23-19-22-10-13-7-8-25(18(13)24-19)14-4-6-17(20)21-11-14;1-2-14-7-3-4-8-16(14)22-19-21-13-15-10-12-24(18(15)23-19)17-9-5-6-11-20-17/h8-11,14-18H,6-7,12-13H2,1-5H3,(H,29,35)(H,30,31,32);5-13H,14H2,1-4H3,(H,24,25,26);3-11H,1-2H3,(H,22,23,24);3-13H,2H2,1H3,(H,21,22,23)
InChIKeyYXKVNNGNKXQTQN-UHFFFAOYSA-N
MW1620.29 g/mol
LogP17.17
Rot. Bonds28

About 7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 162042232) has the molecular formula C89H91ClN20O9 and a molecular weight of 1620.29 g/mol. Its IUPAC name is 7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID162042232
Molecular FormulaC89H91ClN20O9
Molecular Weight1620.29 g/mol
Exact Mass1618.70
IUPAC Name7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCCCN(C)C)c4)c3n2)cc(OC)c1OC.COc1ccc(C)c(Nc2ncc3ccn(-c4ccc(Cl)nc4)c3n2)c1.COc1ccccc1Cn1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21
InChIInChI=1S/C28H34N6O4.C23H24N4O4.C19H16ClN5O.C19H17N5/c1-33(2)13-7-6-12-29-27(35)19-9-8-10-22(15-19)34-14-11-20-18-30-28(32-26(20)34)31-21-16-23(36-3)25(38-5)24(17-21)37-4;1-28-18-8-6-5-7-16(18)14-27-10-9-15-13-24-23(26-22(15)27)25-17-11-19(29-2)21(31-4)20(12-17)30-3;1-12-3-5-15(26-2)9-16(12)23-19-22-10-13-7-8-25(18(13)24-19)14-4-6-17(20)21-11-14;1-2-14-7-3-4-8-16(14)22-19-21-13-15-10-12-24(18(15)23-19)17-9-5-6-11-20-17/h8-11,14-18H,6-7,12-13H2,1-5H3,(H,29,35)(H,30,31,32);5-13H,14H2,1-4H3,(H,24,25,26);3-11H,1-2H3,(H,22,23,24);3-13H,2H2,1H3,(H,21,22,23)
InChIKeyYXKVNNGNKXQTQN-UHFFFAOYSA-N
XLogP17.17
TPSA302.92 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001620.29
LogP ≤ 517.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

N-(2-aminoethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide
CID 11465388
methyl 2-[[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoyl]amino]acetate
CID 58973850
N-(1-methylpiperidin-4-yl)-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide
CID 11191555
2-amino-5-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid
CID 11293467
methyl 4-oxo-6-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexanoate
CID 123936483
7-[3-(2-aminoprop-2-enyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;ethane;propan-1-ol
CID 143094942
N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine
CID 141245788
(2,5-dimethoxyphenyl)methyl-[2-[3-[6-(dimethylamino)hexylcarbamoyl]anilino]pyrimidin-4-yl]carbamic acid
CID 69065619
N-[3-(dimethylamino)propyl]-3-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 44623508
CID 156831484
CID 156831484
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556292

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 162042232) is 7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is CCc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCCCN(C)C)c4)c3n2)cc(OC)c1OC.COc1ccc(C)c(Nc2ncc3ccn(-c4ccc(Cl)nc4)c3n2)c1.COc1ccccc1Cn1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21.
What is the InChIKey of 7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is YXKVNNGNKXQTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O4.C23H24N4O4.C19H16ClN5O.C19H17N5/c1-33(2)13-7-6-12-29-27(35)19-9-8-10-22(15-19)34-14-11-20-18-30-28(32-26(20)34)31-21-16-23(36-3)25(38-5)24(17-21)37-4;1-28-18-8-6-5-7-16(18)14-27-10-9-15-13-24-23(26-22(15)27)25-17-11-19(29-2)21(31-4)20(12-17)30-3;1-12-3-5-15(26-2)9-16(12)23-19-22-10-13-7-8-25(18(13)24-19)14-4-6-17(20)21-11-14;1-2-14-7-3-4-8-16(14)22-19-21-13-15-10-12-24(18(15)23-19)17-9-5-6-11-20-17/h8-11,14-18H,6-7,12-13H2,1-5H3,(H,29,35)(H,30,31,32);5-13H,14H2,1-4H3,(H,24,25,26);3-11H,1-2H3,(H,22,23,24);3-13H,2H2,1H3,(H,21,22,23).
What are the key properties of 7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 1620.29 g/mol, XLogP of 17.17, 28 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-3-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[4-(dimethylamino)butyl]-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[(2-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 162042232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).