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

C19H20ClN5S — CID 144988121

IUPAC6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine
SMILESClc1cc(SN2CCCCC2)cc(Nc2cc(-c3ccccc3)[nH]n2)n1
InChIInChI=1S/C19H20ClN5S/c20-17-11-15(26-25-9-5-2-6-10-25)12-18(21-17)22-19-13-16(23-24-19)14-7-3-1-4-8-14/h1,3-4,7-8,11-13H,2,5-6,9-10H2,(H2,21,22,23,24)
InChIKeyLOLCZBPVRYQICU-UHFFFAOYSA-N
MW385.92 g/mol
LogP5.36
Rot. Bonds5

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

6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine (PubChem CID 144988121) has the molecular formula C19H20ClN5S and a molecular weight of 385.92 g/mol. Its IUPAC name is 6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine
PubChem CID144988121
Molecular FormulaC19H20ClN5S
Molecular Weight385.92 g/mol
Exact Mass385.11
IUPAC Name6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine
SMILESClc1cc(SN2CCCCC2)cc(Nc2cc(-c3ccccc3)[nH]n2)n1
InChIInChI=1S/C19H20ClN5S/c20-17-11-15(26-25-9-5-2-6-10-25)12-18(21-17)22-19-13-16(23-24-19)14-7-3-1-4-8-14/h1,3-4,7-8,11-13H,2,5-6,9-10H2,(H2,21,22,23,24)
InChIKeyLOLCZBPVRYQICU-UHFFFAOYSA-N
XLogP5.36
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.92
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-N-bis(5-phenyl-1H-pyrazol-3-yl)pyridine-2,6-diamine
CID 139220875
6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 10131417
6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-4-ylsulfanylpyridin-2-amine
CID 144988036
3-[[6-[(5-phenyl-1H-pyrazol-3-yl)amino]-4-piperidin-1-ylsulfonyl-2-pyridinyl]amino]propan-1-ol
CID 118628195
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine
CID 144988150
4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-N-phenylbenzene-1,4-diamine
CID 139405714
(5-phenyl-1H-pyrazol-3-yl)hydrazine
CID 13016518
6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine
CID 144988189
[6-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-piperazin-1-ylmethanone
CID 135199042
4-(benzenesulfonyl)-6-chloro-N-[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine
CID 118628252
6-chloro-N-phenyl-2-piperidin-1-ylpyrimidin-4-amine
CID 11335230
3-(benzenesulfonyl)-6-chloro-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyridin-2-amine
CID 118628250

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine?
The IUPAC name of 6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine (CID 144988121) is 6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine is Clc1cc(SN2CCCCC2)cc(Nc2cc(-c3ccccc3)[nH]n2)n1.
What is the InChIKey of 6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine?
The InChIKey is LOLCZBPVRYQICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5S/c20-17-11-15(26-25-9-5-2-6-10-25)12-18(21-17)22-19-13-16(23-24-19)14-7-3-1-4-8-14/h1,3-4,7-8,11-13H,2,5-6,9-10H2,(H2,21,22,23,24).
What are the key properties of 6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine?
6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine has a molecular weight of 385.92 g/mol, XLogP of 5.36, 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-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine is sourced from PubChem (CID 144988121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).