N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide

C31H31Cl2N5O4 — CID 71585279

About N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide

N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide (PubChem CID 71585279) has the molecular formula C31H31Cl2N5O4 and a molecular weight of 608.53 g/mol. Its IUPAC name is N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide
• PubChem CID: 71585279
• Molecular Formula: C31H31Cl2N5O4
• Molecular Weight: 608.53 g/mol
• Exact Mass: 607.18
• IUPAC Name: N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide
• SMILES: COc1ccc(CNC(C)=O)cc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O
• InChI: InChI=1S/C31H31Cl2N5O4/c1-16(2)28-26-27(35-38(28)24-12-19(14-34-18(4)39)7-10-25(24)42-6)31(41)37(21-13-23(33)30(40)36(5)15-21)29(26)22-9-8-20(32)11-17(22)3/h7-13,15-16,29H,14H2,1-6H3,(H,34,39)
• InChIKey: XEXIOQWTQYGVGN-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 98.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.53
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide?

The IUPAC name of N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide (CID 71585279) is N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide.

What is the SMILES notation for N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide?

The canonical SMILES for N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide is COc1ccc(CNC(C)=O)cc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O.

What is the InChIKey of N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide?

The InChIKey is XEXIOQWTQYGVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31Cl2N5O4/c1-16(2)28-26-27(35-38(28)24-12-19(14-34-18(4)39)7-10-25(24)42-6)31(41)37(21-13-23(33)30(40)36(5)15-21)29(26)22-9-8-20(32)11-17(22)3/h7-13,15-16,29H,14H2,1-6H3,(H,34,39).

What are the key properties of N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide?

N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide has a molecular weight of 608.53 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxyphenyl]methyl]acetamide is sourced from PubChem (CID 71585279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).