4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol

C21H27ClN4O4S — CID 171572466

IUPAC4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Nc2cc(Cl)ncc2-c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C21H27ClN4O4S/c1-21(27)6-4-15(5-7-21)25-19-12-20(22)24-14-17(19)18-3-2-16(13-23-18)31(28,29)26-8-10-30-11-9-26/h2-3,12-15,27H,4-11H2,1H3,(H,24,25)
InChIKeyNTUAKJCGGFXLCC-UHFFFAOYSA-N
MW466.99 g/mol
LogP2.92
Rot. Bonds5

About 4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol

4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol (PubChem CID 171572466) has the molecular formula C21H27ClN4O4S and a molecular weight of 466.99 g/mol. Its IUPAC name is 4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
PubChem CID171572466
Molecular FormulaC21H27ClN4O4S
Molecular Weight466.99 g/mol
Exact Mass466.14
IUPAC Name4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Nc2cc(Cl)ncc2-c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C21H27ClN4O4S/c1-21(27)6-4-15(5-7-21)25-19-12-20(22)24-14-17(19)18-3-2-16(13-23-18)31(28,29)26-8-10-30-11-9-26/h2-3,12-15,27H,4-11H2,1H3,(H,24,25)
InChIKeyNTUAKJCGGFXLCC-UHFFFAOYSA-N
XLogP2.92
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol with MolForge

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Related Compounds

4-[[2-chloro-5-(4-methylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 171572538
4-[[2-chloro-5-(1-propan-2-ylpyrazol-3-yl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425639
4-[[2-chloro-5-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167426004
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
4-[[2-chloro-5-(3-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 171572591
N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9311729
4-[[2-chloro-5-[3-(difluoromethyl)pyrazol-1-yl]-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 167425812
4-[[2-chloro-5-(5-fluoro-3-methoxy-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol
CID 171572522
5-morpholin-4-ylsulfonylpyridine-2-thiolate
CID 7063956
N-cyclohex-3-en-1-yl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133322670
[4-[[2-[[(2S)-2-fluorobutyl]amino]-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrimidin-4-yl]amino]cyclohexyl] 2,2,2-trifluoroacetate
CID 170437455
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol (CID 171572466) is 4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol is CC1(O)CCC(Nc2cc(Cl)ncc2-c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1.
What is the InChIKey of 4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?
The InChIKey is NTUAKJCGGFXLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O4S/c1-21(27)6-4-15(5-7-21)25-19-12-20(22)24-14-17(19)18-3-2-16(13-23-18)31(28,29)26-8-10-30-11-9-26/h2-3,12-15,27H,4-11H2,1H3,(H,24,25).
What are the key properties of 4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol?
4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol has a molecular weight of 466.99 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)-4-pyridinyl]amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 171572466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).