4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

C30H34ClN7O3 — CID 24941252

About 4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 24941252) has the molecular formula C30H34ClN7O3 and a molecular weight of 576.10 g/mol. Its IUPAC name is 4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

• Compound Name: 4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
• PubChem CID: 24941252
• Molecular Formula: C30H34ClN7O3
• Molecular Weight: 576.10 g/mol
• Exact Mass: 575.24
• IUPAC Name: 4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
• SMILES: COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1cc2c(cn1)c(C)nn2-c1cc(Cl)cc(CCC(N)=O)c1
• InChI: InChI=1S/C30H34ClN7O3/c1-18-24-17-33-29(16-26(24)38(36-18)23-13-19(4-7-28(32)39)12-21(31)15-23)35-25-6-5-20(14-27(25)41-3)30(40)34-22-8-10-37(2)11-9-22/h5-6,12-17,22H,4,7-11H2,1-3H3,(H2,32,39)(H,33,35)(H,34,40)
• InChIKey: NRECIWMNKXRLNI-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 127.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.10
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?

The IUPAC name of 4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide (CID 24941252) is 4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide.

What is the SMILES notation for 4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?

The canonical SMILES for 4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide is COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1cc2c(cn1)c(C)nn2-c1cc(Cl)cc(CCC(N)=O)c1.

What is the InChIKey of 4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?

The InChIKey is NRECIWMNKXRLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN7O3/c1-18-24-17-33-29(16-26(24)38(36-18)23-13-19(4-7-28(32)39)12-21(31)15-23)35-25-6-5-20(14-27(25)41-3)30(40)34-22-8-10-37(2)11-9-22/h5-6,12-17,22H,4,7-11H2,1-3H3,(H2,32,39)(H,33,35)(H,34,40).

What are the key properties of 4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide?

4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 576.10 g/mol, XLogP of 4.38, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 24941252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).