N-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C39H31F2N11O2 — CID 157427676

IUPACN-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1F.N#Cc1nccc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1F
InChIInChI=1S/C20H16FN5O.C19H15FN6O/c21-18-14(11-22)7-4-8-17(18)23-20(27)26-10-9-16-15(12-26)19(25-24-16)13-5-2-1-3-6-13;20-17-15(6-8-22-16(17)10-21)23-19(27)26-9-7-14-13(11-26)18(25-24-14)12-4-2-1-3-5-12/h1-8H,9-10,12H2,(H,23,27)(H,24,25);1-6,8H,7,9,11H2,(H,24,25)(H,22,23,27)
InChIKeyBQDPLMKROKRNEJ-UHFFFAOYSA-N
MW723.75 g/mol
LogP6.75
Rot. Bonds4

About N-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 157427676) has the molecular formula C39H31F2N11O2 and a molecular weight of 723.75 g/mol. Its IUPAC name is N-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID157427676
Molecular FormulaC39H31F2N11O2
Molecular Weight723.75 g/mol
Exact Mass723.26
IUPAC NameN-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1F.N#Cc1nccc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1F
InChIInChI=1S/C20H16FN5O.C19H15FN6O/c21-18-14(11-22)7-4-8-17(18)23-20(27)26-10-9-16-15(12-26)19(25-24-16)13-5-2-1-3-6-13;20-17-15(6-8-22-16(17)10-21)23-19(27)26-9-7-14-13(11-26)18(25-24-14)12-4-2-1-3-5-12/h1-8H,9-10,12H2,(H,23,27)(H,24,25);1-6,8H,7,9,11H2,(H,24,25)(H,22,23,27)
InChIKeyBQDPLMKROKRNEJ-UHFFFAOYSA-N
XLogP6.75
TPSA182.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.75
LogP ≤ 56.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Related Compounds

US10023570, Example 663
CID 124199759
N-(3-cyano-4-fluoro-phenyl)-3,11,12,16-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-1(18),2(7),3,5,12-pentaene-16-carboxamide
CID 155343518
3-[2-[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 44213645
N-[(3R)-1-[(1-methylindol-2-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56928525
N-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56941042
N-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56941340
N-[2-[(2,6-difluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56942204
N-[1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56942818
1-(3-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 58302777
1-(2-fluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 58302796
1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 58302802
1-(3,5-difluorophenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 58302805

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 157427676) is N-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is N#Cc1cccc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1F.N#Cc1nccc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1F.
What is the InChIKey of N-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is BQDPLMKROKRNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O.C19H15FN6O/c21-18-14(11-22)7-4-8-17(18)23-20(27)26-10-9-16-15(12-26)19(25-24-16)13-5-2-1-3-6-13;20-17-15(6-8-22-16(17)10-21)23-19(27)26-9-7-14-13(11-26)18(25-24-14)12-4-2-1-3-5-12/h1-8H,9-10,12H2,(H,23,27)(H,24,25);1-6,8H,7,9,11H2,(H,24,25)(H,22,23,27).
What are the key properties of N-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 723.75 g/mol, XLogP of 6.75, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 157427676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).