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

C32H36N8O2 — CID 53261896

IUPACN-[3-cyclopropyl-1-[(6-methyl-3-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)cn1
InChIInChI=1S/C32H36N8O2/c1-22-6-7-23(19-33-22)21-40-27-5-3-4-26(30(27)31(36-40)24-8-9-24)35-32(41)28-20-34-29-18-25(10-11-39(28)29)42-17-16-38-14-12-37(2)13-15-38/h3-7,10-11,18-20,24H,8-9,12-17,21H2,1-2H3,(H,35,41)
InChIKeyKNUUYJCYOBIOEC-UHFFFAOYSA-N
MW564.69 g/mol
LogP4.19
Rot. Bonds9

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

N-[3-cyclopropyl-1-[(6-methyl-3-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53261896) has the molecular formula C32H36N8O2 and a molecular weight of 564.69 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(6-methyl-3-pyridinyl)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-[(6-methyl-3-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53261896
Molecular FormulaC32H36N8O2
Molecular Weight564.69 g/mol
Exact Mass564.30
IUPAC NameN-[3-cyclopropyl-1-[(6-methyl-3-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)cn1
InChIInChI=1S/C32H36N8O2/c1-22-6-7-23(19-33-22)21-40-27-5-3-4-26(30(27)31(36-40)24-8-9-24)35-32(41)28-20-34-29-18-25(10-11-39(28)29)42-17-16-38-14-12-37(2)13-15-38/h3-7,10-11,18-20,24H,8-9,12-17,21H2,1-2H3,(H,35,41)
InChIKeyKNUUYJCYOBIOEC-UHFFFAOYSA-N
XLogP4.19
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.69
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[(6-methyl-3-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-[(6-methyl-3-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 53261896) is N-[3-cyclopropyl-1-[(6-methyl-3-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-[(6-methyl-3-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-[(6-methyl-3-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)cn1.
What is the InChIKey of N-[3-cyclopropyl-1-[(6-methyl-3-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KNUUYJCYOBIOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O2/c1-22-6-7-23(19-33-22)21-40-27-5-3-4-26(30(27)31(36-40)24-8-9-24)35-32(41)28-20-34-29-18-25(10-11-39(28)29)42-17-16-38-14-12-37(2)13-15-38/h3-7,10-11,18-20,24H,8-9,12-17,21H2,1-2H3,(H,35,41).
What are the key properties of N-[3-cyclopropyl-1-[(6-methyl-3-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-cyclopropyl-1-[(6-methyl-3-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 564.69 g/mol, XLogP of 4.19, 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-[(6-methyl-3-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53261896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).