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

C51H49Cl3N16O3S — CID 159531785

IUPACN-(3-chlorophenyl)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1cc(-c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)cn1.Cn1nccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsc3)c2C1
InChIInChI=1S/2C17H17ClN6O.C17H15ClN4OS/c1-23-15(5-7-19-23)16-13-10-24(8-6-14(13)21-22-16)17(25)20-12-4-2-3-11(18)9-12;1-23-9-11(8-19-23)16-14-10-24(6-5-15(14)21-22-16)17(25)20-13-4-2-3-12(18)7-13;18-12-2-1-3-13(8-12)19-17(23)22-6-4-15-14(9-22)16(21-20-15)11-5-7-24-10-11/h2-5,7,9H,6,8,10H2,1H3,(H,20,25)(H,21,22);2-4,7-9H,5-6,10H2,1H3,(H,20,25)(H,21,22);1-3,5,7-8,10H,4,6,9H2,(H,19,23)(H,20,21)
InChIKeyMDBYQXDDVQJJGQ-UHFFFAOYSA-N
MW1072.49 g/mol
LogP10.49
Rot. Bonds6

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

N-(3-chlorophenyl)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 159531785) has the molecular formula C51H49Cl3N16O3S and a molecular weight of 1072.49 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID159531785
Molecular FormulaC51H49Cl3N16O3S
Molecular Weight1072.49 g/mol
Exact Mass1070.30
IUPAC NameN-(3-chlorophenyl)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1cc(-c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)cn1.Cn1nccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsc3)c2C1
InChIInChI=1S/2C17H17ClN6O.C17H15ClN4OS/c1-23-15(5-7-19-23)16-13-10-24(8-6-14(13)21-22-16)17(25)20-12-4-2-3-11(18)9-12;1-23-9-11(8-19-23)16-14-10-24(6-5-15(14)21-22-16)17(25)20-13-4-2-3-12(18)7-13;18-12-2-1-3-13(8-12)19-17(23)22-6-4-15-14(9-22)16(21-20-15)11-5-7-24-10-11/h2-5,7,9H,6,8,10H2,1H3,(H,20,25)(H,21,22);2-4,7-9H,5-6,10H2,1H3,(H,20,25)(H,21,22);1-3,5,7-8,10H,4,6,9H2,(H,19,23)(H,20,21)
InChIKeyMDBYQXDDVQJJGQ-UHFFFAOYSA-N
XLogP10.49
TPSA218.70 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms74
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001072.49
LogP ≤ 510.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze N-(3-chlorophenyl)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-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)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 159531785) is N-(3-chlorophenyl)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cn1cc(-c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)cn1.Cn1nccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsc3)c2C1.
What is the InChIKey of N-(3-chlorophenyl)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is MDBYQXDDVQJJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H17ClN6O.C17H15ClN4OS/c1-23-15(5-7-19-23)16-13-10-24(8-6-14(13)21-22-16)17(25)20-12-4-2-3-11(18)9-12;1-23-9-11(8-19-23)16-14-10-24(6-5-15(14)21-22-16)17(25)20-13-4-2-3-12(18)7-13;18-12-2-1-3-13(8-12)19-17(23)22-6-4-15-14(9-22)16(21-20-15)11-5-7-24-10-11/h2-5,7,9H,6,8,10H2,1H3,(H,20,25)(H,21,22);2-4,7-9H,5-6,10H2,1H3,(H,20,25)(H,21,22);1-3,5,7-8,10H,4,6,9H2,(H,19,23)(H,20,21).
What are the key properties of N-(3-chlorophenyl)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chlorophenyl)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1072.49 g/mol, XLogP of 10.49, 6 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 159531785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).