N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide

C21H23FN8O — CID 167501520

IUPACN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(N4CCNC(C)C4)c4cn(C)nc34)cc(F)c2n1
InChIInChI=1S/C21H23FN8O/c1-12-8-29(5-4-23-12)19-16-11-28(3)27-18(16)15(7-24-19)21(31)26-14-6-17(22)20-25-13(2)9-30(20)10-14/h6-7,9-12,23H,4-5,8H2,1-3H3,(H,26,31)
InChIKeyZVTSNWRSVPTSHP-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.11
Rot. Bonds3

About N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 167501520) has the molecular formula C21H23FN8O and a molecular weight of 422.47 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID167501520
Molecular FormulaC21H23FN8O
Molecular Weight422.47 g/mol
Exact Mass422.20
IUPAC NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(N4CCNC(C)C4)c4cn(C)nc34)cc(F)c2n1
InChIInChI=1S/C21H23FN8O/c1-12-8-29(5-4-23-12)19-16-11-28(3)27-18(16)15(7-24-19)21(31)26-14-6-17(22)20-25-13(2)9-30(20)10-14/h6-7,9-12,23H,4-5,8H2,1-3H3,(H,26,31)
InChIKeyZVTSNWRSVPTSHP-UHFFFAOYSA-N
XLogP2.11
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide (CID 167501520) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide is Cc1cn2cc(NC(=O)c3cnc(N4CCNC(C)C4)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-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is ZVTSNWRSVPTSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN8O/c1-12-8-29(5-4-23-12)19-16-11-28(3)27-18(16)15(7-24-19)21(31)26-14-6-17(22)20-25-13(2)9-30(20)10-14/h6-7,9-12,23H,4-5,8H2,1-3H3,(H,26,31).
What are the key properties of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide?
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 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-(3-methylpiperazin-1-yl)pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 167501520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).