5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C31H40N8O4 — CID 143894235

About 5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 143894235) has the molecular formula C31H40N8O4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• PubChem CID: 143894235
• Molecular Formula: C31H40N8O4
• Molecular Weight: 588.71 g/mol
• Exact Mass: 588.32
• IUPAC Name: 5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
• SMILES: COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]c(C)c(C(=O)NCCN4CCC(O)CC4)c3C)c3c(C)nc(N)nc32)c1C
• InChI: InChI=1S/C31H40N8O4/c1-16-14-34-24(18(3)27(16)43-6)15-39-28-26(20(5)36-31(32)37-28)22(30(39)42)13-23-17(2)25(19(4)35-23)29(41)33-9-12-38-10-7-21(40)8-11-38/h13-14,21,35,40H,7-12,15H2,1-6H3,(H,33,41)(H2,32,36,37)/b22-13-
• InChIKey: IPGOVUJHLSQBFG-XKZIYDEJSA-N
• XLogP: 2.61
• TPSA: 162.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.71
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The IUPAC name of 5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 143894235) is 5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is COc1c(C)cnc(CN2C(=O)/C(=C\c3[nH]c(C)c(C(=O)NCCN4CCC(O)CC4)c3C)c3c(C)nc(N)nc32)c1C.

What is the InChIKey of 5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

The InChIKey is IPGOVUJHLSQBFG-XKZIYDEJSA-N. The full InChI is InChI=1S/C31H40N8O4/c1-16-14-34-24(18(3)27(16)43-6)15-39-28-26(20(5)36-31(32)37-28)22(30(39)42)13-23-17(2)25(19(4)35-23)29(41)33-9-12-38-10-7-21(40)8-11-38/h13-14,21,35,40H,7-12,15H2,1-6H3,(H,33,41)(H2,32,36,37)/b22-13-.

What are the key properties of 5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?

5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 588.71 g/mol, XLogP of 2.61, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 143894235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).