N-[3-cyclopropyl-1-[(5-hydroxy-6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C32H36N8O3 — CID 67261713

IUPACN-[3-cyclopropyl-1-[(5-hydroxy-6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)ccc1O
InChIInChI=1S/C32H36N8O3/c1-21-28(41)9-8-23(34-21)20-40-26-5-3-4-25(30(26)31(36-40)22-6-7-22)35-32(42)27-19-33-29-18-24(10-11-39(27)29)43-17-16-38-14-12-37(2)13-15-38/h3-5,8-11,18-19,22,41H,6-7,12-17,20H2,1-2H3,(H,35,42)
InChIKeyATYXRXQIWBNAQW-UHFFFAOYSA-N
MW580.69 g/mol
LogP3.90
Rot. Bonds9

About N-[3-cyclopropyl-1-[(5-hydroxy-6-methyl-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-hydroxy-6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67261713) has the molecular formula C32H36N8O3 and a molecular weight of 580.69 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(5-hydroxy-6-methyl-2-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-[(5-hydroxy-6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67261713
Molecular FormulaC32H36N8O3
Molecular Weight580.69 g/mol
Exact Mass580.29
IUPAC NameN-[3-cyclopropyl-1-[(5-hydroxy-6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)ccc1O
InChIInChI=1S/C32H36N8O3/c1-21-28(41)9-8-23(34-21)20-40-26-5-3-4-25(30(26)31(36-40)22-6-7-22)35-32(42)27-19-33-29-18-24(10-11-39(27)29)43-17-16-38-14-12-37(2)13-15-38/h3-5,8-11,18-19,22,41H,6-7,12-17,20H2,1-2H3,(H,35,42)
InChIKeyATYXRXQIWBNAQW-UHFFFAOYSA-N
XLogP3.90
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.69
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[(5-hydroxy-6-methyl-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-hydroxy-6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67261713) is N-[3-cyclopropyl-1-[(5-hydroxy-6-methyl-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-hydroxy-6-methyl-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-hydroxy-6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)ccc1O.
What is the InChIKey of N-[3-cyclopropyl-1-[(5-hydroxy-6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ATYXRXQIWBNAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O3/c1-21-28(41)9-8-23(34-21)20-40-26-5-3-4-25(30(26)31(36-40)22-6-7-22)35-32(42)27-19-33-29-18-24(10-11-39(27)29)43-17-16-38-14-12-37(2)13-15-38/h3-5,8-11,18-19,22,41H,6-7,12-17,20H2,1-2H3,(H,35,42).
What are the key properties of N-[3-cyclopropyl-1-[(5-hydroxy-6-methyl-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-hydroxy-6-methyl-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 580.69 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[(5-hydroxy-6-methyl-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 67261713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).