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

C32H39N9O2 — CID 67261540

IUPACN-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)n1ccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1
InChIInChI=1S/C32H39N9O2/c1-22(2)40-12-9-24(35-40)21-41-27-6-4-5-26(30(27)31(36-41)23-7-8-23)34-32(42)28-20-33-29-19-25(10-11-39(28)29)43-18-17-38-15-13-37(3)14-16-38/h4-6,9-12,19-20,22-23H,7-8,13-18,21H2,1-3H3,(H,34,42)
InChIKeyOTOOTNLPTXHFGT-UHFFFAOYSA-N
MW581.73 g/mol
LogP4.27
Rot. Bonds10

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

N-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67261540) has the molecular formula C32H39N9O2 and a molecular weight of 581.73 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67261540
Molecular FormulaC32H39N9O2
Molecular Weight581.73 g/mol
Exact Mass581.32
IUPAC NameN-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)n1ccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1
InChIInChI=1S/C32H39N9O2/c1-22(2)40-12-9-24(35-40)21-41-27-6-4-5-26(30(27)31(36-41)23-7-8-23)34-32(42)28-20-33-29-19-25(10-11-39(28)29)43-18-17-38-15-13-37(3)14-16-38/h4-6,9-12,19-20,22-23H,7-8,13-18,21H2,1-3H3,(H,34,42)
InChIKeyOTOOTNLPTXHFGT-UHFFFAOYSA-N
XLogP4.27
TPSA97.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.73
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-3-yl)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-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67261540) is N-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-3-yl)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-[(1-propan-2-ylpyrazol-3-yl)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-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CC(C)n1ccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.
What is the InChIKey of N-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is OTOOTNLPTXHFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N9O2/c1-22(2)40-12-9-24(35-40)21-41-27-6-4-5-26(30(27)31(36-41)23-7-8-23)34-32(42)28-20-33-29-19-25(10-11-39(28)29)43-18-17-38-15-13-37(3)14-16-38/h4-6,9-12,19-20,22-23H,7-8,13-18,21H2,1-3H3,(H,34,42).
What are the key properties of N-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 581.73 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67261540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).