5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide

C32H45N7O3 — CID 134340773

About 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide

5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide (PubChem CID 134340773) has the molecular formula C32H45N7O3 and a molecular weight of 575.76 g/mol. Its IUPAC name is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide.

Molecular Properties

• Compound Name: 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide
• PubChem CID: 134340773
• Molecular Formula: C32H45N7O3
• Molecular Weight: 575.76 g/mol
• Exact Mass: 575.36
• IUPAC Name: 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide
• SMILES: C/C=C\N/C(=N\C)c1cc2cc(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c(C)c(C(C)N3CCC(N(C)C)CC3)n2c1
• InChI: InChI=1S/C32H45N7O3/c1-9-12-34-30(33-5)23-16-25-17-26(31(40)35-18-27-28(42-8)15-20(2)36-32(27)41)21(3)29(39(25)19-23)22(4)38-13-10-24(11-14-38)37(6)7/h9,12,15-17,19,22,24H,10-11,13-14,18H2,1-8H3,(H,33,34)(H,35,40)(H,36,41)/b12-9-
• InChIKey: PVBOWLZUUHWDNR-XFXZXTDPSA-N
• XLogP: 3.77
• TPSA: 106.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.76
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide?

The IUPAC name of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide (CID 134340773) is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide.

What is the SMILES notation for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide?

The canonical SMILES for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide is C/C=C\N/C(=N\C)c1cc2cc(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c(C)c(C(C)N3CCC(N(C)C)CC3)n2c1.

What is the InChIKey of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide?

The InChIKey is PVBOWLZUUHWDNR-XFXZXTDPSA-N. The full InChI is InChI=1S/C32H45N7O3/c1-9-12-34-30(33-5)23-16-25-17-26(31(40)35-18-27-28(42-8)15-20(2)36-32(27)41)21(3)29(39(25)19-23)22(4)38-13-10-24(11-14-38)37(6)7/h9,12,15-17,19,22,24H,10-11,13-14,18H2,1-8H3,(H,33,34)(H,35,40)(H,36,41)/b12-9-.

What are the key properties of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide?

5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide has a molecular weight of 575.76 g/mol, XLogP of 3.77, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-[N'-methyl-N-[(Z)-prop-1-enyl]carbamimidoyl]indolizine-7-carboxamide is sourced from PubChem (CID 134340773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).