N-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C17H16F2N4O2 — CID 134802530

IUPACN-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCC(F)F)c3cnn(C)c3n2)c1
InChIInChI=1S/C17H16F2N4O2/c1-23-16-13(8-21-23)12(17(24)20-9-15(18)19)7-14(22-16)10-4-3-5-11(6-10)25-2/h3-8,15H,9H2,1-2H3,(H,20,24)
InChIKeyINLHIHDZQMPRRE-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.64
Rot. Bonds5

About N-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802530) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802530
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC NameN-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCC(F)F)c3cnn(C)c3n2)c1
InChIInChI=1S/C17H16F2N4O2/c1-23-16-13(8-21-23)12(17(24)20-9-15(18)19)7-14(22-16)10-4-3-5-11(6-10)25-2/h3-8,15H,9H2,1-2H3,(H,20,24)
InChIKeyINLHIHDZQMPRRE-UHFFFAOYSA-N
XLogP2.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bay-1217389
CID 78320750
4-(azetidine-1-carbonyl)-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378843
4-(azetidine-1-carbonyl)-N-[2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378844
N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 11595759
N-tert-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
CID 162623416
HCAR2 agonist 1
CID 25101223
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378494
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52934379
US9555022, Example 02.44
CID 54770807
N-tert-butyl-2-(5-(difluoromethoxy)-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280456
US9663510, Example 01.07
CID 71577161
2-(5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 71625545

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134802530) is N-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(-c2cc(C(=O)NCC(F)F)c3cnn(C)c3n2)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is INLHIHDZQMPRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c1-23-16-13(8-21-23)12(17(24)20-9-15(18)19)7-14(22-16)10-4-3-5-11(6-10)25-2/h3-8,15H,9H2,1-2H3,(H,20,24).
What are the key properties of N-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).