6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine

C18H18ClN5S — CID 144988189

IUPAC6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine
SMILESClc1cc(Sc2cccnc2)cc(Nc2cc(C3CCCC3)[nH]n2)n1
InChIInChI=1S/C18H18ClN5S/c19-16-8-14(25-13-6-3-7-20-11-13)9-17(21-16)22-18-10-15(23-24-18)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2,(H2,21,22,23,24)
InChIKeyLFASTXZEHPOTOI-UHFFFAOYSA-N
MW371.90 g/mol
LogP5.41
Rot. Bonds5

About 6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine

6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine (PubChem CID 144988189) has the molecular formula C18H18ClN5S and a molecular weight of 371.90 g/mol. Its IUPAC name is 6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine
PubChem CID144988189
Molecular FormulaC18H18ClN5S
Molecular Weight371.90 g/mol
Exact Mass371.10
IUPAC Name6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine
SMILESClc1cc(Sc2cccnc2)cc(Nc2cc(C3CCCC3)[nH]n2)n1
InChIInChI=1S/C18H18ClN5S/c19-16-8-14(25-13-6-3-7-20-11-13)9-17(21-16)22-18-10-15(23-24-18)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2,(H2,21,22,23,24)
InChIKeyLFASTXZEHPOTOI-UHFFFAOYSA-N
XLogP5.41
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.90
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-(5-cyclopentyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylsulfanylpyrimidin-4-amine
CID 138644146
3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine
CID 164880257
(2R)-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-pyridin-3-ylpropanamide
CID 164630164
3-(benzenesulfonyl)-6-chloro-N-(5-cyclobutyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 118628356
6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 20604298
2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine
CID 144988291
5-cyclohexyl-3-phenylsulfanyl-1H-pyrazole
CID 21454038
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-methylpyrimidine-2,4-diamine;ethane;methylcyclohexane
CID 154687415
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine
CID 86047710
5-bromo-2-N-(3-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 59757961
6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine
CID 144988121
N-(5-cyclopentyl-1H-pyrazol-3-yl)-7,7-dimethyl-5,6-dihydrocyclopenta[c]pyridazin-3-amine
CID 164879933

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine?
The IUPAC name of 6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine (CID 144988189) is 6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine is Clc1cc(Sc2cccnc2)cc(Nc2cc(C3CCCC3)[nH]n2)n1.
What is the InChIKey of 6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine?
The InChIKey is LFASTXZEHPOTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5S/c19-16-8-14(25-13-6-3-7-20-11-13)9-17(21-16)22-18-10-15(23-24-18)12-4-1-2-5-12/h3,6-12H,1-2,4-5H2,(H2,21,22,23,24).
What are the key properties of 6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine?
6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine has a molecular weight of 371.90 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine is sourced from PubChem (CID 144988189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).