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

C44H36F2N12O3 — CID 160694836

IUPACN-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;phenyl N-(2-cyano-3-fluoro-4-pyridinyl)carbamate;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESN#Cc1nccc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1F.N#Cc1nccc(NC(=O)Oc2ccccc2)c1F.c1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C19H15FN6O.C13H8FN3O2.C12H13N3/c20-17-15(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;14-12-10(6-7-16-11(12)8-15)17-13(18)19-9-4-2-1-3-5-9;1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12/h1-6,8H,7,9,11H2,(H,24,25)(H,22,23,27);1-7H,(H,16,17,18);1-5,13H,6-8H2,(H,14,15)
InChIKeyRPWDCNFPWMKFIX-UHFFFAOYSA-N
MW818.85 g/mol
LogP7.50
Rot. Bonds5

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

N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;phenyl N-(2-cyano-3-fluoro-4-pyridinyl)carbamate;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 160694836) has the molecular formula C44H36F2N12O3 and a molecular weight of 818.85 g/mol. Its IUPAC name is N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;phenyl N-(2-cyano-3-fluoro-4-pyridinyl)carbamate;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound NameN-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;phenyl N-(2-cyano-3-fluoro-4-pyridinyl)carbamate;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID160694836
Molecular FormulaC44H36F2N12O3
Molecular Weight818.85 g/mol
Exact Mass818.30
IUPAC NameN-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;phenyl N-(2-cyano-3-fluoro-4-pyridinyl)carbamate;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESN#Cc1nccc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1F.N#Cc1nccc(NC(=O)Oc2ccccc2)c1F.c1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C19H15FN6O.C13H8FN3O2.C12H13N3/c20-17-15(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;14-12-10(6-7-16-11(12)8-15)17-13(18)19-9-4-2-1-3-5-9;1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12/h1-6,8H,7,9,11H2,(H,24,25)(H,22,23,27);1-7H,(H,16,17,18);1-5,13H,6-8H2,(H,14,15)
InChIKeyRPWDCNFPWMKFIX-UHFFFAOYSA-N
XLogP7.50
TPSA213.42 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.85
LogP ≤ 57.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;phenyl N-(2-cyano-3-fluoro-4-pyridinyl)carbamate;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;phenyl N-(2-cyano-3-fluoro-4-pyridinyl)carbamate;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 160694836) is N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;phenyl N-(2-cyano-3-fluoro-4-pyridinyl)carbamate;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;phenyl N-(2-cyano-3-fluoro-4-pyridinyl)carbamate;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;phenyl N-(2-cyano-3-fluoro-4-pyridinyl)carbamate;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is N#Cc1nccc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1F.N#Cc1nccc(NC(=O)Oc2ccccc2)c1F.c1ccc(-c2n[nH]c3c2CNCC3)cc1.
What is the InChIKey of N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;phenyl N-(2-cyano-3-fluoro-4-pyridinyl)carbamate;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is RPWDCNFPWMKFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O.C13H8FN3O2.C12H13N3/c20-17-15(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;14-12-10(6-7-16-11(12)8-15)17-13(18)19-9-4-2-1-3-5-9;1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12/h1-6,8H,7,9,11H2,(H,24,25)(H,22,23,27);1-7H,(H,16,17,18);1-5,13H,6-8H2,(H,14,15).
What are the key properties of N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;phenyl N-(2-cyano-3-fluoro-4-pyridinyl)carbamate;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;phenyl N-(2-cyano-3-fluoro-4-pyridinyl)carbamate;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 818.85 g/mol, XLogP of 7.50, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluoro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;phenyl N-(2-cyano-3-fluoro-4-pyridinyl)carbamate;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 160694836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).