1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide

C49H56ClN9O6 — CID 142300596

About 1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide

1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide (PubChem CID 142300596) has the molecular formula C49H56ClN9O6 and a molecular weight of 902.50 g/mol. Its IUPAC name is 1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide.

Molecular Properties

• Compound Name: 1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide
• PubChem CID: 142300596
• Molecular Formula: C49H56ClN9O6
• Molecular Weight: 902.50 g/mol
• Exact Mass: 901.40
• IUPAC Name: 1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2cc3cc(C4CN(C(C)c5c(C)c(C(=O)NCc6c(C)cc(C)[nH]c6=O)cc6c(Cl)ccn56)CCO4)cn3c(C(C)OCc3ccn(C)n3)c2C)c(=O)[nH]1
• InChI: InChI=1S/C49H56ClN9O6/c1-26-16-28(3)53-48(62)39(26)21-51-46(60)37-19-36-18-34(23-59(36)45(31(37)6)33(8)65-25-35-10-12-56(9)55-35)43-24-57(14-15-64-43)32(7)44-30(5)38(20-42-41(50)11-13-58(42)44)47(61)52-22-40-27(2)17-29(4)54-49(40)63/h10-13,16-20,23,32-33,43H,14-15,21-22,24-25H2,1-9H3,(H,51,60)(H,52,61)(H,53,62)(H,54,63)
• InChIKey: WNHTUYGTDTWHAG-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 172.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	902.50
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide?

The IUPAC name of 1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide (CID 142300596) is 1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide.

What is the SMILES notation for 1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide?

The canonical SMILES for 1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide is Cc1cc(C)c(CNC(=O)c2cc3cc(C4CN(C(C)c5c(C)c(C(=O)NCc6c(C)cc(C)[nH]c6=O)cc6c(Cl)ccn56)CCO4)cn3c(C(C)OCc3ccn(C)n3)c2C)c(=O)[nH]1.

What is the InChIKey of 1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide?

The InChIKey is WNHTUYGTDTWHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H56ClN9O6/c1-26-16-28(3)53-48(62)39(26)21-51-46(60)37-19-36-18-34(23-59(36)45(31(37)6)33(8)65-25-35-10-12-56(9)55-35)43-24-57(14-15-64-43)32(7)44-30(5)38(20-42-41(50)11-13-58(42)44)47(61)52-22-40-27(2)17-29(4)54-49(40)63/h10-13,16-20,23,32-33,43H,14-15,21-22,24-25H2,1-9H3,(H,51,60)(H,52,61)(H,53,62)(H,54,63).

What are the key properties of 1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide?

1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide has a molecular weight of 902.50 g/mol, XLogP of 7.08, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-[1-[(1-methylpyrazol-3-yl)methoxy]ethyl]indolizin-2-yl]morpholin-4-yl]ethyl]-6-methylindolizine-7-carboxamide is sourced from PubChem (CID 142300596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).