N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C32H35ClN8O2 — CID 57384599

About N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57384599) has the molecular formula C32H35ClN8O2 and a molecular weight of 599.14 g/mol. Its IUPAC name is N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 57384599
• Molecular Formula: C32H35ClN8O2
• Molecular Weight: 599.14 g/mol
• Exact Mass: 598.26
• IUPAC Name: N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: C[C@H]1CN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(Cl)nn5Cc4cccc(C5CC5)n4)cnc3c2)CCN1C
• InChI: InChI=1S/C32H35ClN8O2/c1-21-19-39(14-13-38(21)2)15-16-43-24-11-12-40-28(18-34-29(40)17-24)32(42)36-26-7-4-8-27-30(26)31(33)37-41(27)20-23-5-3-6-25(35-23)22-9-10-22/h3-8,11-12,17-18,21-22H,9-10,13-16,19-20H2,1-2H3,(H,36,42)/t21-/m0/s1
• InChIKey: LAYQMPNPKPAHFR-NRFANRHFSA-N
• XLogP: 4.93
• TPSA: 92.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.14
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 57384599) is N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is C[C@H]1CN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(Cl)nn5Cc4cccc(C5CC5)n4)cnc3c2)CCN1C.

What is the InChIKey of N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is LAYQMPNPKPAHFR-NRFANRHFSA-N. The full InChI is InChI=1S/C32H35ClN8O2/c1-21-19-39(14-13-38(21)2)15-16-43-24-11-12-40-28(18-34-29(40)17-24)32(42)36-26-7-4-8-27-30(26)31(33)37-41(27)20-23-5-3-6-25(35-23)22-9-10-22/h3-8,11-12,17-18,21-22H,9-10,13-16,19-20H2,1-2H3,(H,36,42)/t21-/m0/s1.

What are the key properties of N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 599.14 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57384599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).