N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide

C22H24FN7O — CID 167501617

IUPACN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCN(C)CC4)c4cn(C)nc34)cc(F)c2n1
InChIInChI=1S/C22H24FN7O/c1-14-11-30-12-15(10-18(23)21(30)24-14)25-22(31)16-4-5-19(17-13-28(3)26-20(16)17)29-8-6-27(2)7-9-29/h4-5,10-13H,6-9H2,1-3H3,(H,25,31)
InChIKeyICRBZTNQKHNIKR-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.67
Rot. Bonds3

About N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide (PubChem CID 167501617) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide
PubChem CID167501617
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCN(C)CC4)c4cn(C)nc34)cc(F)c2n1
InChIInChI=1S/C22H24FN7O/c1-14-11-30-12-15(10-18(23)21(30)24-14)25-22(31)16-4-5-19(17-13-28(3)26-20(16)17)29-8-6-27(2)7-9-29/h4-5,10-13H,6-9H2,1-3H3,(H,25,31)
InChIKeyICRBZTNQKHNIKR-UHFFFAOYSA-N
XLogP2.67
TPSA70.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide?
The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide (CID 167501617) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide.
What is the SMILES notation for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide?
The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide is Cc1cn2cc(NC(=O)c3ccc(N4CCN(C)CC4)c4cn(C)nc34)cc(F)c2n1.
What is the InChIKey of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide?
The InChIKey is ICRBZTNQKHNIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-14-11-30-12-15(10-18(23)21(30)24-14)25-22(31)16-4-5-19(17-13-28(3)26-20(16)17)29-8-6-27(2)7-9-29/h4-5,10-13H,6-9H2,1-3H3,(H,25,31).
What are the key properties of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide?
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide is sourced from PubChem (CID 167501617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).