(8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

C20H21N5O — CID 100642582

IUPAC(8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCc1ccnc(-n2nc(C)cc2NC(=O)[C@H]2CCCc3cccnc32)c1
InChIInChI=1S/C20H21N5O/c1-13-8-10-21-17(11-13)25-18(12-14(2)24-25)23-20(26)16-7-3-5-15-6-4-9-22-19(15)16/h4,6,8-12,16H,3,5,7H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyFLTUASSAWUQLAV-INIZCTEOSA-N
MW347.42 g/mol
LogP3.34
Rot. Bonds3

About (8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

(8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 100642582) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound Name(8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID100642582
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCc1ccnc(-n2nc(C)cc2NC(=O)[C@H]2CCCc3cccnc32)c1
InChIInChI=1S/C20H21N5O/c1-13-8-10-21-17(11-13)25-18(12-14(2)24-25)23-20(26)16-7-3-5-15-6-4-9-22-19(15)16/h4,6,8-12,16H,3,5,7H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyFLTUASSAWUQLAV-INIZCTEOSA-N
XLogP3.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)cyclopropanecarboxamide
CID 3966984
N-(1-tert-butyl-4-cyanopyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 119052717
(8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 100659560
N-cyclobutyloxy-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154862038
2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745952
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154754689
1-cyclopropyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 138996070
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
(8R)-N-[(2R)-2-cyano-3,3-dimethylbutan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124851984
6-acetyl-N-(5-methyl-2-propylpyrazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949133
(8S)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 100666599

Frequently Asked Questions

What is the IUPAC name of (8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of (8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 100642582) is (8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for (8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for (8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is Cc1ccnc(-n2nc(C)cc2NC(=O)[C@H]2CCCc3cccnc32)c1.
What is the InChIKey of (8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is FLTUASSAWUQLAV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-8-10-21-17(11-13)25-18(12-14(2)24-25)23-20(26)16-7-3-5-15-6-4-9-22-19(15)16/h4,6,8-12,16H,3,5,7H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of (8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
(8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[5-methyl-2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 100642582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).