N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide

C126H135N27O21 — CID 157094644

About N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide

N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide (PubChem CID 157094644) has the molecular formula C126H135N27O21 and a molecular weight of 2363.63 g/mol. Its IUPAC name is N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide
• PubChem CID: 157094644
• Molecular Formula: C126H135N27O21
• Molecular Weight: 2363.63 g/mol
• Exact Mass: 2362.03
• IUPAC Name: N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide
• SMILES: COC(=O)CCCC(=O)c1cccc(-n2ccc3ccc(Nc4cc(OC)c(OC)c(OC)c4)cc32)n1.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCCN)n4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCN5CCCC5)n4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NC5CC5)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(Cc4cccnc4)c3n2)cc(OC)c1OC
• InChI: InChI=1S/C28H29N3O6.C27H31N7O4.C26H27N5O4.C24H27N7O4.C21H21N5O3/c1-34-24-16-20(17-25(35-2)28(24)37-4)29-19-12-11-18-13-14-31(22(18)15-19)26-9-5-7-21(30-26)23(32)8-6-10-27(33)36-3;1-36-21-15-19(16-22(37-2)24(21)38-3)30-27-29-17-18-9-13-34(25(18)32-27)23-8-6-7-20(31-23)26(35)28-10-14-33-11-4-5-12-33;1-33-21-13-19(14-22(34-2)24(21)35-3)29-26-27-15-17-9-10-31(25(17)30-26)20-6-4-5-16(11-20)12-23(32)28-18-7-8-18;1-33-18-12-16(13-19(34-2)21(18)35-3)28-24-27-14-15-8-11-31(22(15)30-24)20-7-4-6-17(29-20)23(32)26-10-5-9-25;1-27-17-9-16(10-18(28-2)19(17)29-3)24-21-23-12-15-6-8-26(20(15)25-21)13-14-5-4-7-22-11-14/h5,7,9,11-17,29H,6,8,10H2,1-4H3;6-9,13,15-17H,4-5,10-12,14H2,1-3H3,(H,28,35)(H,29,30,32);4-6,9-11,13-15,18H,7-8,12H2,1-3H3,(H,28,32)(H,27,29,30);4,6-8,11-14H,5,9-10,25H2,1-3H3,(H,26,32)(H,27,28,30);4-12H,13H2,1-3H3,(H,23,24,25)
• InChIKey: AFBHTIXOARERDC-UHFFFAOYSA-N
• XLogP: 19.05
• TPSA: 537.86 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 47
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2363.63
LogP ≤ 5	19.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide?

The IUPAC name of N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide (CID 157094644) is N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide?

The canonical SMILES for N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide is COC(=O)CCCC(=O)c1cccc(-n2ccc3ccc(Nc4cc(OC)c(OC)c(OC)c4)cc32)n1.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCCN)n4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCN5CCCC5)n4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NC5CC5)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(Cc4cccnc4)c3n2)cc(OC)c1OC.

What is the InChIKey of N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide?

The InChIKey is AFBHTIXOARERDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O6.C27H31N7O4.C26H27N5O4.C24H27N7O4.C21H21N5O3/c1-34-24-16-20(17-25(35-2)28(24)37-4)29-19-12-11-18-13-14-31(22(18)15-19)26-9-5-7-21(30-26)23(32)8-6-10-27(33)36-3;1-36-21-15-19(16-22(37-2)24(21)38-3)30-27-29-17-18-9-13-34(25(18)32-27)23-8-6-7-20(31-23)26(35)28-10-14-33-11-4-5-12-33;1-33-21-13-19(14-22(34-2)24(21)35-3)29-26-27-15-17-9-10-31(25(17)30-26)20-6-4-5-16(11-20)12-23(32)28-18-7-8-18;1-33-18-12-16(13-19(34-2)21(18)35-3)28-24-27-14-15-8-11-31(22(15)30-24)20-7-4-6-17(29-20)23(32)26-10-5-9-25;1-27-17-9-16(10-18(28-2)19(17)29-3)24-21-23-12-15-6-8-26(20(15)25-21)13-14-5-4-7-22-11-14/h5,7,9,11-17,29H,6,8,10H2,1-4H3;6-9,13,15-17H,4-5,10-12,14H2,1-3H3,(H,28,35)(H,29,30,32);4-6,9-11,13-15,18H,7-8,12H2,1-3H3,(H,28,32)(H,27,29,30);4,6-8,11-14H,5,9-10,25H2,1-3H3,(H,26,32)(H,27,28,30);4-12H,13H2,1-3H3,(H,23,24,25).

What are the key properties of N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide?

N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide has a molecular weight of 2363.63 g/mol, XLogP of 19.05, 47 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopropyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide;N-cyclopropyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;methyl 5-oxo-5-[6-[6-(3,4,5-trimethoxyanilino)indol-1-yl]-2-pyridinyl]pentanoate;7-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(2-pyrrolidin-1-ylethyl)-6-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 157094644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).