(6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C21H21ClN4O — CID 162652597

IUPAC(6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC[C@H]1Cc2[nH]nc(-c3ccccc3)c2CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C21H21ClN4O/c1-2-17-12-19-18(20(25-24-19)14-7-4-3-5-8-14)13-26(17)21(27)23-16-10-6-9-15(22)11-16/h3-11,17H,2,12-13H2,1H3,(H,23,27)(H,24,25)/t17-/m0/s1
InChIKeyKYLSZOCDHAYUIS-KRWDZBQOSA-N
MW380.88 g/mol
LogP5.10
Rot. Bonds3

About (6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

(6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 162652597) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is (6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID162652597
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name(6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC[C@H]1Cc2[nH]nc(-c3ccccc3)c2CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C21H21ClN4O/c1-2-17-12-19-18(20(25-24-19)14-7-4-3-5-8-14)13-26(17)21(27)23-16-10-6-9-15(22)11-16/h3-11,17H,2,12-13H2,1H3,(H,23,27)(H,24,25)/t17-/m0/s1
InChIKeyKYLSZOCDHAYUIS-KRWDZBQOSA-N
XLogP5.10
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442766
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2-chlorophenyl}methyl)-3-1H-indazol-4-ylurea
CID 16749352
1-(8-chloro-1-isopentyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(1H-indazol-4-yl)urea
CID 11697246
N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435042
N-(3-chlorophenyl)-3-(3-thienyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435049
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
(6S)-N-(3-chlorophenyl)-6-methyl-3-(2-thienyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435123
3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435412
N-(3-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442731
N-(3-chlorophenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442818
1-(3-chloro-2H-indazol-5-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
CID 11306550
1-(3,4-dichlorophenyl)-3-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]urea
CID 155532080

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of (6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 162652597) is (6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for (6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CC[C@H]1Cc2[nH]nc(-c3ccccc3)c2CN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is KYLSZOCDHAYUIS-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-2-17-12-19-18(20(25-24-19)14-7-4-3-5-8-14)13-26(17)21(27)23-16-10-6-9-15(22)11-16/h3-11,17H,2,12-13H2,1H3,(H,23,27)(H,24,25)/t17-/m0/s1.
What are the key properties of (6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
(6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-chlorophenyl)-6-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 162652597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).