6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine

C17H17N5S — CID 20604298

IUPAC6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine
SMILESNc1ccc(Sc2cccc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C17H17N5S/c18-12-6-8-13(9-7-12)23-17-3-1-2-15(20-17)19-16-10-14(21-22-16)11-4-5-11/h1-3,6-11H,4-5,18H2,(H2,19,20,21,22)
InChIKeyQYARQXDZRFCLME-UHFFFAOYSA-N
MW323.43 g/mol
LogP4.16
Rot. Bonds5

About 6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine

6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine (PubChem CID 20604298) has the molecular formula C17H17N5S and a molecular weight of 323.43 g/mol. Its IUPAC name is 6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine
PubChem CID20604298
Molecular FormulaC17H17N5S
Molecular Weight323.43 g/mol
Exact Mass323.12
IUPAC Name6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine
SMILESNc1ccc(Sc2cccc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C17H17N5S/c18-12-6-8-13(9-7-12)23-17-3-1-2-15(20-17)19-16-10-14(21-22-16)11-4-5-11/h1-3,6-11H,4-5,18H2,(H2,19,20,21,22)
InChIKeyQYARQXDZRFCLME-UHFFFAOYSA-N
XLogP4.16
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]thiophene-2-sulfonamide;molecular hydrogen
CID 160774366
2-N-(3-aminophenyl)-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 11501911
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine
CID 90243458
N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-methoxypropan-2-yl)pyrimidin-2-yl]sulfanylphenyl]acetamide
CID 23545851
N-(5-cyclopentyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylsulfanylpyrimidin-4-amine
CID 138644146
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine
CID 20604204
2-(4-aminophenyl)sulfanyl-6-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 87510293
2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 71058238
5-cyclohexyl-3-phenylsulfanyl-1H-pyrazole
CID 21454038
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(methylamino)phenyl]sulfanyl-6-N-(2-piperidin-1-ylpropyl)pyrimidine-4,6-diamine
CID 143459413
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 141159470
6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine
CID 144988189

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine (CID 20604298) is 6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine is Nc1ccc(Sc2cccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.
What is the InChIKey of 6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine?
The InChIKey is QYARQXDZRFCLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5S/c18-12-6-8-13(9-7-12)23-17-3-1-2-15(20-17)19-16-10-14(21-22-16)11-4-5-11/h1-3,6-11H,4-5,18H2,(H2,19,20,21,22).
What are the key properties of 6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine?
6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine has a molecular weight of 323.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 20604298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).