2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine

C27H29N5S — CID 144988291

IUPAC2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine
SMILESc1ccc(Cc2cc(Nc3cc(Sc4ccccc4)cc(NC4CCCCC4)n3)n[nH]2)cc1
InChIInChI=1S/C27H29N5S/c1-4-10-20(11-5-1)16-22-17-27(32-31-22)30-26-19-24(33-23-14-8-3-9-15-23)18-25(29-26)28-21-12-6-2-7-13-21/h1,3-5,8-11,14-15,17-19,21H,2,6-7,12-13,16H2,(H3,28,29,30,31,32)
InChIKeyQEZBGUIIBCALHW-UHFFFAOYSA-N
MW455.63 g/mol
LogP7.03
Rot. Bonds8

About 2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine

2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine (PubChem CID 144988291) has the molecular formula C27H29N5S and a molecular weight of 455.63 g/mol. Its IUPAC name is 2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine
PubChem CID144988291
Molecular FormulaC27H29N5S
Molecular Weight455.63 g/mol
Exact Mass455.21
IUPAC Name2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine
SMILESc1ccc(Cc2cc(Nc3cc(Sc4ccccc4)cc(NC4CCCCC4)n3)n[nH]2)cc1
InChIInChI=1S/C27H29N5S/c1-4-10-20(11-5-1)16-22-17-27(32-31-22)30-26-19-24(33-23-14-8-3-9-15-23)18-25(29-26)28-21-12-6-2-7-13-21/h1,3-5,8-11,14-15,17-19,21H,2,6-7,12-13,16H2,(H3,28,29,30,31,32)
InChIKeyQEZBGUIIBCALHW-UHFFFAOYSA-N
XLogP7.03
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.63
LogP ≤ 57.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine with MolForge

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Related Compounds

4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol
CID 144988185
4-(benzenesulfonyl)-N-(5-benzyl-1H-pyrazol-3-yl)-6-chloropyridin-2-amine
CID 118628283
N-(5-benzyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine
CID 86613153
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine
CID 144988150
N-(5-methyl-1H-pyrazol-3-yl)-6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-4-phenylsulfanylpyridin-2-amine
CID 144988155
6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine
CID 144988189
N-(5-cyclopentyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-phenylsulfanylpyrimidin-4-amine
CID 138644146
5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine
CID 15919005
1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine
CID 154205278
6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine
CID 80786169
4-(benzenesulfonyl)-2-N-methyl-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine;cyclopentanol
CID 144988103
N-(6-methyl-4-phenylsulfanyl-2-pyridinyl)-1,3-benzothiazol-2-amine;propylcyclohexane
CID 144988240

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine?
The IUPAC name of 2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine (CID 144988291) is 2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine.
What is the SMILES notation for 2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine?
The canonical SMILES for 2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine is c1ccc(Cc2cc(Nc3cc(Sc4ccccc4)cc(NC4CCCCC4)n3)n[nH]2)cc1.
What is the InChIKey of 2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine?
The InChIKey is QEZBGUIIBCALHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5S/c1-4-10-20(11-5-1)16-22-17-27(32-31-22)30-26-19-24(33-23-14-8-3-9-15-23)18-25(29-26)28-21-12-6-2-7-13-21/h1,3-5,8-11,14-15,17-19,21H,2,6-7,12-13,16H2,(H3,28,29,30,31,32).
What are the key properties of 2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine?
2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine has a molecular weight of 455.63 g/mol, XLogP of 7.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine is sourced from PubChem (CID 144988291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).