N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C31H33FN8O2 — CID 67260948

About N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67260948) has the molecular formula C31H33FN8O2 and a molecular weight of 568.66 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 67260948
• Molecular Formula: C31H33FN8O2
• Molecular Weight: 568.66 g/mol
• Exact Mass: 568.27
• IUPAC Name: N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CN1CCN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(C4CC4)nn5Cc4ccc(F)cn4)cnc3c2)CC1
• InChI: InChI=1S/C31H33FN8O2/c1-37-11-13-38(14-12-37)15-16-42-24-9-10-39-27(19-34-28(39)17-24)31(41)35-25-3-2-4-26-29(25)30(21-5-6-21)36-40(26)20-23-8-7-22(32)18-33-23/h2-4,7-10,17-19,21H,5-6,11-16,20H2,1H3,(H,35,41)
• InChIKey: KTGGFOCXWFDAII-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 92.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.66
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67260948) is N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CN1CCN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(C4CC4)nn5Cc4ccc(F)cn4)cnc3c2)CC1.

What is the InChIKey of N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is KTGGFOCXWFDAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN8O2/c1-37-11-13-38(14-12-37)15-16-42-24-9-10-39-27(19-34-28(39)17-24)31(41)35-25-3-2-4-26-29(25)30(21-5-6-21)36-40(26)20-23-8-7-22(32)18-33-23/h2-4,7-10,17-19,21H,5-6,11-16,20H2,1H3,(H,35,41).

What are the key properties of N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 568.66 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclopropyl-1-[(5-fluoro-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67260948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).