4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol

C27H29N5O2S — CID 144988185

IUPAC4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCOc1cccc(-c2cc(Nc3cc(Sc4ccccc4)cc(NC4CCC(O)CC4)n3)n[nH]2)c1
InChIInChI=1S/C27H29N5O2S/c1-34-21-7-5-6-18(14-21)24-17-27(32-31-24)30-26-16-23(35-22-8-3-2-4-9-22)15-25(29-26)28-19-10-12-20(33)13-11-19/h2-9,14-17,19-20,33H,10-13H2,1H3,(H3,28,29,30,31,32)
InChIKeyROVCZMOAVAIGDS-UHFFFAOYSA-N
MW487.63 g/mol
LogP6.09
Rot. Bonds8

About 4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol

4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 144988185) has the molecular formula C27H29N5O2S and a molecular weight of 487.63 g/mol. Its IUPAC name is 4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID144988185
Molecular FormulaC27H29N5O2S
Molecular Weight487.63 g/mol
Exact Mass487.20
IUPAC Name4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCOc1cccc(-c2cc(Nc3cc(Sc4ccccc4)cc(NC4CCC(O)CC4)n3)n[nH]2)c1
InChIInChI=1S/C27H29N5O2S/c1-34-21-7-5-6-18(14-21)24-17-27(32-31-24)30-26-16-23(35-22-8-3-2-4-9-22)15-25(29-26)28-19-10-12-20(33)13-11-19/h2-9,14-17,19-20,33H,10-13H2,1H3,(H3,28,29,30,31,32)
InChIKeyROVCZMOAVAIGDS-UHFFFAOYSA-N
XLogP6.09
TPSA95.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.63
LogP ≤ 56.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

2-N-(5-benzyl-1H-pyrazol-3-yl)-6-N-cyclohexyl-4-phenylsulfanylpyridine-2,6-diamine
CID 144988291
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine
CID 144988150
6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-4-ylsulfanylpyridin-2-amine
CID 144988036
3-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56761980
4-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridin-6-amine
CID 178061503
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane
CID 143206200
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
CID 56771437
6-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180169
1-(3-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)thiourea
CID 935371
4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880075
4-(4-methoxyphenyl)-N-(5-phenyl-1H-pyrazol-3-yl)-6-pyridin-4-yl-1,3,5-triazin-2-amine
CID 148760119

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol (CID 144988185) is 4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol is COc1cccc(-c2cc(Nc3cc(Sc4ccccc4)cc(NC4CCC(O)CC4)n3)n[nH]2)c1.
What is the InChIKey of 4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is ROVCZMOAVAIGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2S/c1-34-21-7-5-6-18(14-21)24-17-27(32-31-24)30-26-16-23(35-22-8-3-2-4-9-22)15-25(29-26)28-19-10-12-20(33)13-11-19/h2-9,14-17,19-20,33H,10-13H2,1H3,(H3,28,29,30,31,32).
What are the key properties of 4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol?
4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 487.63 g/mol, XLogP of 6.09, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amino]-4-phenylsulfanyl-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 144988185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).