4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide

C24H24FN7O2 — CID 162664280

IUPAC4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(c2cccc(-n3ncc4cnc(-c5c(F)cccc5OC)cc43)n2)CC1
InChIInChI=1S/C24H24FN7O2/c1-26-24(33)31-11-9-30(10-12-31)21-7-4-8-22(29-21)32-19-13-18(27-14-16(19)15-28-32)23-17(25)5-3-6-20(23)34-2/h3-8,13-15H,9-12H2,1-2H3,(H,26,33)
InChIKeyOWSQGNLGAGQRAA-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.09
Rot. Bonds4

About 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide

4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide (PubChem CID 162664280) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide
PubChem CID162664280
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(c2cccc(-n3ncc4cnc(-c5c(F)cccc5OC)cc43)n2)CC1
InChIInChI=1S/C24H24FN7O2/c1-26-24(33)31-11-9-30(10-12-31)21-7-4-8-22(29-21)32-19-13-18(27-14-16(19)15-28-32)23-17(25)5-3-6-20(23)34-2/h3-8,13-15H,9-12H2,1-2H3,(H,26,33)
InChIKeyOWSQGNLGAGQRAA-UHFFFAOYSA-N
XLogP3.09
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide (CID 162664280) is 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide is CNC(=O)N1CCN(c2cccc(-n3ncc4cnc(-c5c(F)cccc5OC)cc43)n2)CC1.
What is the InChIKey of 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide?
The InChIKey is OWSQGNLGAGQRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-26-24(33)31-11-9-30(10-12-31)21-7-4-8-22(29-21)32-19-13-18(27-14-16(19)15-28-32)23-17(25)5-3-6-20(23)34-2/h3-8,13-15H,9-12H2,1-2H3,(H,26,33).
What are the key properties of 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide?
4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 162664280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).