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

C30H34N8O2S — CID 67259432

IUPACN-[3-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)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)cs1
InChIInChI=1S/C30H34N8O2S/c1-20-32-22(19-41-20)18-38-25-5-3-4-24(28(25)29(34-38)21-6-7-21)33-30(39)26-17-31-27-16-23(8-9-37(26)27)40-15-14-36-12-10-35(2)11-13-36/h3-5,8-9,16-17,19,21H,6-7,10-15,18H2,1-2H3,(H,33,39)
InChIKeyRGNZQUHYLTVZAO-UHFFFAOYSA-N
MW570.72 g/mol
LogP4.25
Rot. Bonds9

About N-[3-cyclopropyl-1-[(2-methyl-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-methyl-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 67259432) has the molecular formula C30H34N8O2S and a molecular weight of 570.72 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(2-methyl-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-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259432
Molecular FormulaC30H34N8O2S
Molecular Weight570.72 g/mol
Exact Mass570.25
IUPAC NameN-[3-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)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)cs1
InChIInChI=1S/C30H34N8O2S/c1-20-32-22(19-41-20)18-38-25-5-3-4-24(28(25)29(34-38)21-6-7-21)33-30(39)26-17-31-27-16-23(8-9-37(26)27)40-15-14-36-12-10-35(2)11-13-36/h3-5,8-9,16-17,19,21H,6-7,10-15,18H2,1-2H3,(H,33,39)
InChIKeyRGNZQUHYLTVZAO-UHFFFAOYSA-N
XLogP4.25
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.72
LogP ≤ 54.25
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-methyl-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-methyl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67259432) is N-[3-cyclopropyl-1-[(2-methyl-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-methyl-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-methyl-1,3-thiazol-4-yl)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)cs1.
What is the InChIKey of N-[3-cyclopropyl-1-[(2-methyl-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 RGNZQUHYLTVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O2S/c1-20-32-22(19-41-20)18-38-25-5-3-4-24(28(25)29(34-38)21-6-7-21)33-30(39)26-17-31-27-16-23(8-9-37(26)27)40-15-14-36-12-10-35(2)11-13-36/h3-5,8-9,16-17,19,21H,6-7,10-15,18H2,1-2H3,(H,33,39).
What are the key properties of N-[3-cyclopropyl-1-[(2-methyl-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-methyl-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 570.72 g/mol, XLogP of 4.25, 9 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-methyl-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 67259432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).