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

C19H19ClN4OS — CID 121435035

IUPAC(6S)-N-(3-chlorophenyl)-N,6-dimethyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESC[C@H]1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)N(C)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4OS/c1-12-9-16-15(18(22-21-16)17-7-4-8-26-17)11-24(12)19(25)23(2)14-6-3-5-13(20)10-14/h3-8,10,12H,9,11H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyBPJGYNQHAASXNA-LBPRGKRZSA-N
MW386.91 g/mol
LogP4.79
Rot. Bonds2

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

(6S)-N-(3-chlorophenyl)-N,6-dimethyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121435035) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is (6S)-N-(3-chlorophenyl)-N,6-dimethyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-chlorophenyl)-N,6-dimethyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121435035
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name(6S)-N-(3-chlorophenyl)-N,6-dimethyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESC[C@H]1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)N(C)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4OS/c1-12-9-16-15(18(22-21-16)17-7-4-8-26-17)11-24(12)19(25)23(2)14-6-3-5-13(20)10-14/h3-8,10,12H,9,11H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyBPJGYNQHAASXNA-LBPRGKRZSA-N
XLogP4.79
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-chlorophenyl)-N,6-dimethyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of (6S)-N-(3-chlorophenyl)-N,6-dimethyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121435035) is (6S)-N-(3-chlorophenyl)-N,6-dimethyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for (6S)-N-(3-chlorophenyl)-N,6-dimethyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-N-(3-chlorophenyl)-N,6-dimethyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is C[C@H]1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)N(C)c1cccc(Cl)c1.
What is the InChIKey of (6S)-N-(3-chlorophenyl)-N,6-dimethyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is BPJGYNQHAASXNA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-12-9-16-15(18(22-21-16)17-7-4-8-26-17)11-24(12)19(25)23(2)14-6-3-5-13(20)10-14/h3-8,10,12H,9,11H2,1-2H3,(H,21,22)/t12-/m0/s1.
What are the key properties of (6S)-N-(3-chlorophenyl)-N,6-dimethyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
(6S)-N-(3-chlorophenyl)-N,6-dimethyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-chlorophenyl)-N,6-dimethyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121435035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).