N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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

C93H85Cl4FN22O8S3 — CID 157476084

IUPACN-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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
SMILESCc1sccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.N#Cc1nccc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1F.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccc(CO)s3)c2C1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsc3CO)c2C1.O=C(Nc1cccc(Cl)c1)N1Cc2c(-c3ccccc3)n[nH]c2CC1CO
InChIInChI=1S/C20H19ClN4O2.C19H15FN6O.2C18H17ClN4O2S.C18H17ClN4OS/c21-14-7-4-8-15(9-14)22-20(27)25-11-17-18(10-16(25)12-26)23-24-19(17)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;19-11-2-1-3-12(8-11)20-18(25)23-6-4-15-14(9-23)17(22-21-15)13-5-7-26-16(13)10-24;19-11-2-1-3-12(8-11)20-18(25)23-7-6-15-14(9-23)17(22-21-15)16-5-4-13(10-24)26-16;1-11-14(6-8-25-11)17-15-10-23(7-5-16(15)21-22-17)18(24)20-13-4-2-3-12(19)9-13/h1-9,16,26H,10-12H2,(H,22,27)(H,23,24);1-6,8H,7,9,11H2,(H,24,25)(H,22,23,27);1-3,5,7-8,24H,4,6,9-10H2,(H,20,25)(H,21,22);1-5,8,24H,6-7,9-10H2,(H,20,25)(H,21,22);2-4,6,8-9H,5,7,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyBVPLBBZFFXPETM-UHFFFAOYSA-N
MW1895.86 g/mol
LogP19.19
Rot. Bonds13

About N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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 157476084) has the molecular formula C93H85Cl4FN22O8S3 and a molecular weight of 1895.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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 CID157476084
Molecular FormulaC93H85Cl4FN22O8S3
Molecular Weight1895.86 g/mol
Exact Mass1892.48
IUPAC NameN-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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
SMILESCc1sccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.N#Cc1nccc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1F.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccc(CO)s3)c2C1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsc3CO)c2C1.O=C(Nc1cccc(Cl)c1)N1Cc2c(-c3ccccc3)n[nH]c2CC1CO
InChIInChI=1S/C20H19ClN4O2.C19H15FN6O.2C18H17ClN4O2S.C18H17ClN4OS/c21-14-7-4-8-15(9-14)22-20(27)25-11-17-18(10-16(25)12-26)23-24-19(17)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;19-11-2-1-3-12(8-11)20-18(25)23-6-4-15-14(9-23)17(22-21-15)13-5-7-26-16(13)10-24;19-11-2-1-3-12(8-11)20-18(25)23-7-6-15-14(9-23)17(22-21-15)16-5-4-13(10-24)26-16;1-11-14(6-8-25-11)17-15-10-23(7-5-16(15)21-22-17)18(24)20-13-4-2-3-12(19)9-13/h1-9,16,26H,10-12H2,(H,22,27)(H,23,24);1-6,8H,7,9,11H2,(H,24,25)(H,22,23,27);1-3,5,7-8,24H,4,6,9-10H2,(H,20,25)(H,21,22);1-5,8,24H,6-7,9-10H2,(H,20,25)(H,21,22);2-4,6,8-9H,5,7,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyBVPLBBZFFXPETM-UHFFFAOYSA-N
XLogP19.19
TPSA402.47 Ų
H-Bond Donors13
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001895.86
LogP ≤ 519.19
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1018

Analyze N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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 157476084) is N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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 Cc1sccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.N#Cc1nccc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)c1F.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccc(CO)s3)c2C1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsc3CO)c2C1.O=C(Nc1cccc(Cl)c1)N1Cc2c(-c3ccccc3)n[nH]c2CC1CO.
What is the InChIKey of N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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 BVPLBBZFFXPETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2.C19H15FN6O.2C18H17ClN4O2S.C18H17ClN4OS/c21-14-7-4-8-15(9-14)22-20(27)25-11-17-18(10-16(25)12-26)23-24-19(17)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;19-11-2-1-3-12(8-11)20-18(25)23-6-4-15-14(9-23)17(22-21-15)13-5-7-26-16(13)10-24;19-11-2-1-3-12(8-11)20-18(25)23-7-6-15-14(9-23)17(22-21-15)16-5-4-13(10-24)26-16;1-11-14(6-8-25-11)17-15-10-23(7-5-16(15)21-22-17)18(24)20-13-4-2-3-12(19)9-13/h1-9,16,26H,10-12H2,(H,22,27)(H,23,24);1-6,8H,7,9,11H2,(H,24,25)(H,22,23,27);1-3,5,7-8,24H,4,6,9-10H2,(H,20,25)(H,21,22);1-5,8,24H,6-7,9-10H2,(H,20,25)(H,21,22);2-4,6,8-9H,5,7,10H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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 1895.86 g/mol, XLogP of 19.19, 13 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(hydroxymethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[2-(hydroxymethyl)thiophen-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-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 157476084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).