6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide

C24H19FN6O3 — CID 165385009

IUPAC6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide
SMILESCN(Cc1cncc2cn[nH]c12)C(=O)c1cnc(-c2cc(F)cc(C#N)c2)c(OC2COC2)c1
InChIInChI=1S/C24H19FN6O3/c1-31(11-18-8-27-7-17-10-29-30-22(17)18)24(32)16-5-21(34-20-12-33-13-20)23(28-9-16)15-2-14(6-26)3-19(25)4-15/h2-5,7-10,20H,11-13H2,1H3,(H,29,30)
InChIKeyKXCHAEHGHBZLNX-UHFFFAOYSA-N
MW458.45 g/mol
LogP3.08
Rot. Bonds6

About 6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide

6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide (PubChem CID 165385009) has the molecular formula C24H19FN6O3 and a molecular weight of 458.45 g/mol. Its IUPAC name is 6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide
PubChem CID165385009
Molecular FormulaC24H19FN6O3
Molecular Weight458.45 g/mol
Exact Mass458.15
IUPAC Name6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide
SMILESCN(Cc1cncc2cn[nH]c12)C(=O)c1cnc(-c2cc(F)cc(C#N)c2)c(OC2COC2)c1
InChIInChI=1S/C24H19FN6O3/c1-31(11-18-8-27-7-17-10-29-30-22(17)18)24(32)16-5-21(34-20-12-33-13-20)23(28-9-16)15-2-14(6-26)3-19(25)4-15/h2-5,7-10,20H,11-13H2,1H3,(H,29,30)
InChIKeyKXCHAEHGHBZLNX-UHFFFAOYSA-N
XLogP3.08
TPSA117.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide (CID 165385009) is 6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide is CN(Cc1cncc2cn[nH]c12)C(=O)c1cnc(-c2cc(F)cc(C#N)c2)c(OC2COC2)c1.
What is the InChIKey of 6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide?
The InChIKey is KXCHAEHGHBZLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O3/c1-31(11-18-8-27-7-17-10-29-30-22(17)18)24(32)16-5-21(34-20-12-33-13-20)23(28-9-16)15-2-14(6-26)3-19(25)4-15/h2-5,7-10,20H,11-13H2,1H3,(H,29,30).
What are the key properties of 6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide?
6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide has a molecular weight of 458.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-5-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 165385009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).