N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide

C17H13FN6O2 — CID 167146952

IUPACN-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(F)c1-c1cc2c(NC(=O)c3ccn[nH]3)n[nH]c2cn1
InChIInChI=1S/C17H13FN6O2/c1-26-14-4-2-3-10(18)15(14)12-7-9-13(8-19-12)23-24-16(9)21-17(25)11-5-6-20-22-11/h2-8H,1H3,(H,20,22)(H2,21,23,24,25)
InChIKeyWWOUXDXXFVVEQB-UHFFFAOYSA-N
MW352.33 g/mol
LogP2.75
Rot. Bonds4

About N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide

N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 167146952) has the molecular formula C17H13FN6O2 and a molecular weight of 352.33 g/mol. Its IUPAC name is N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID167146952
Molecular FormulaC17H13FN6O2
Molecular Weight352.33 g/mol
Exact Mass352.11
IUPAC NameN-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(F)c1-c1cc2c(NC(=O)c3ccn[nH]3)n[nH]c2cn1
InChIInChI=1S/C17H13FN6O2/c1-26-14-4-2-3-10(18)15(14)12-7-9-13(8-19-12)23-24-16(9)21-17(25)11-5-6-20-22-11/h2-8H,1H3,(H,20,22)(H2,21,23,24,25)
InChIKeyWWOUXDXXFVVEQB-UHFFFAOYSA-N
XLogP2.75
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide (CID 167146952) is N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide is COc1cccc(F)c1-c1cc2c(NC(=O)c3ccn[nH]3)n[nH]c2cn1.
What is the InChIKey of N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is WWOUXDXXFVVEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O2/c1-26-14-4-2-3-10(18)15(14)12-7-9-13(8-19-12)23-24-16(9)21-17(25)11-5-6-20-22-11/h2-8H,1H3,(H,20,22)(H2,21,23,24,25).
What are the key properties of N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide?
N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 352.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167146952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).