[4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol

C17H18ClF2N3O — CID 167426333

IUPAC[4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol
SMILESOCC1(F)CCC(Nc2cc(Cl)ncc2-c2cccc(F)n2)CC1
InChIInChI=1S/C17H18ClF2N3O/c18-15-8-14(22-11-4-6-17(20,10-24)7-5-11)12(9-21-15)13-2-1-3-16(19)23-13/h1-3,8-9,11,24H,4-7,10H2,(H,21,22)
InChIKeySPUYJQLJIHCFHS-UHFFFAOYSA-N
MW353.80 g/mol
LogP3.99
Rot. Bonds4

About [4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol

[4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol (PubChem CID 167426333) has the molecular formula C17H18ClF2N3O and a molecular weight of 353.80 g/mol. Its IUPAC name is [4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol
PubChem CID167426333
Molecular FormulaC17H18ClF2N3O
Molecular Weight353.80 g/mol
Exact Mass353.11
IUPAC Name[4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol
SMILESOCC1(F)CCC(Nc2cc(Cl)ncc2-c2cccc(F)n2)CC1
InChIInChI=1S/C17H18ClF2N3O/c18-15-8-14(22-11-4-6-17(20,10-24)7-5-11)12(9-21-15)13-2-1-3-16(19)23-13/h1-3,8-9,11,24H,4-7,10H2,(H,21,22)
InChIKeySPUYJQLJIHCFHS-UHFFFAOYSA-N
XLogP3.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.80
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol with MolForge

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Related Compounds

(trans-4-(5'-Chloro-6-(3-fluorobenzylamino)-2,4'-bipyridin-2'-yl-amino)cyclohexyl) methanol
CID 66937053
(2R)-2-cyclohexyl-2-[[3-fluoro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]ethanol
CID 68312414
(2R)-2-[[3-chloro-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312944
[(6S,8S)-3-chloro-8-(3-chloro-5-fluorophenyl)-5,6,7,8-tetrahydro-1,7-naphthyridin-6-yl]methanol
CID 168284668
2-[4-[[(4-Chlorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-3-methylbutan-1-ol
CID 56672505
(2R)-2-[[6-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312444
(2R)-2-[[6-(6-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 88932487
US11401286, Example 93
CID 90338563
US11401286, Example 90
CID 90338523
[1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol
CID 164639849
(3S)-3-(4-chlorophenyl)-3-[(3-chloro-2-pyridinyl)methylamino]propan-1-ol
CID 164643164
2-Amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol
CID 19786817

Frequently Asked Questions

What is the IUPAC name of [4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol?
The IUPAC name of [4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol (CID 167426333) is [4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol.
What is the SMILES notation for [4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol?
The canonical SMILES for [4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol is OCC1(F)CCC(Nc2cc(Cl)ncc2-c2cccc(F)n2)CC1.
What is the InChIKey of [4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol?
The InChIKey is SPUYJQLJIHCFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N3O/c18-15-8-14(22-11-4-6-17(20,10-24)7-5-11)12(9-21-15)13-2-1-3-16(19)23-13/h1-3,8-9,11,24H,4-7,10H2,(H,21,22).
What are the key properties of [4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol?
[4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol has a molecular weight of 353.80 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-chloro-5-(6-fluoro-2-pyridinyl)-4-pyridinyl]amino]-1-fluorocyclohexyl]methanol is sourced from PubChem (CID 167426333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).