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

C32H38N8O2S — CID 67259935

IUPACN-[3-cyclopropyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)c1nc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)cs1
InChIInChI=1S/C32H38N8O2S/c1-21(2)32-34-23(20-43-32)19-40-26-6-4-5-25(29(26)30(36-40)22-7-8-22)35-31(41)27-18-33-28-17-24(9-10-39(27)28)42-16-15-38-13-11-37(3)12-14-38/h4-6,9-10,17-18,20-22H,7-8,11-16,19H2,1-3H3,(H,35,41)
InChIKeyUINBBGMOCCFITL-UHFFFAOYSA-N
MW598.78 g/mol
LogP5.07
Rot. Bonds10

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

N-[3-cyclopropyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259935) has the molecular formula C32H38N8O2S and a molecular weight of 598.78 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(2-propan-2-yl-1,3-thiazol-4-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-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259935
Molecular FormulaC32H38N8O2S
Molecular Weight598.78 g/mol
Exact Mass598.28
IUPAC NameN-[3-cyclopropyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)c1nc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)cs1
InChIInChI=1S/C32H38N8O2S/c1-21(2)32-34-23(20-43-32)19-40-26-6-4-5-25(29(26)30(36-40)22-7-8-22)35-31(41)27-18-33-28-17-24(9-10-39(27)28)42-16-15-38-13-11-37(3)12-14-38/h4-6,9-10,17-18,20-22H,7-8,11-16,19H2,1-3H3,(H,35,41)
InChIKeyUINBBGMOCCFITL-UHFFFAOYSA-N
XLogP5.07
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.78
LogP ≤ 55.07
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-[(2-propan-2-yl-1,3-thiazol-4-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-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67259935) is N-[3-cyclopropyl-1-[(2-propan-2-yl-1,3-thiazol-4-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-[(2-propan-2-yl-1,3-thiazol-4-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-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CC(C)c1nc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)cs1.
What is the InChIKey of N-[3-cyclopropyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is UINBBGMOCCFITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N8O2S/c1-21(2)32-34-23(20-43-32)19-40-26-6-4-5-25(29(26)30(36-40)22-7-8-22)35-31(41)27-18-33-28-17-24(9-10-39(27)28)42-16-15-38-13-11-37(3)12-14-38/h4-6,9-10,17-18,20-22H,7-8,11-16,19H2,1-3H3,(H,35,41).
What are the key properties of N-[3-cyclopropyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-cyclopropyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 598.78 g/mol, XLogP of 5.07, 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-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).