1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol

C25H28F2N4O — CID 71003272

IUPAC1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol
SMILESCc1cc(Nc2cc(C(F)F)ccn2)nc(-c2ccc(C(C)(O)C3CCCCC3)nc2)c1
InChIInChI=1S/C25H28F2N4O/c1-16-12-20(30-23(13-16)31-22-14-17(24(26)27)10-11-28-22)18-8-9-21(29-15-18)25(2,32)19-6-4-3-5-7-19/h8-15,19,24,32H,3-7H2,1-2H3,(H,28,30,31)
InChIKeyFUBLSSCGOVLCSE-UHFFFAOYSA-N
MW438.52 g/mol
LogP6.32
Rot. Bonds6

About 1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol

1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol (PubChem CID 71003272) has the molecular formula C25H28F2N4O and a molecular weight of 438.52 g/mol. Its IUPAC name is 1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol
PubChem CID71003272
Molecular FormulaC25H28F2N4O
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol
SMILESCc1cc(Nc2cc(C(F)F)ccn2)nc(-c2ccc(C(C)(O)C3CCCCC3)nc2)c1
InChIInChI=1S/C25H28F2N4O/c1-16-12-20(30-23(13-16)31-22-14-17(24(26)27)10-11-28-22)18-8-9-21(29-15-18)25(2,32)19-6-4-3-5-7-19/h8-15,19,24,32H,3-7H2,1-2H3,(H,28,30,31)
InChIKeyFUBLSSCGOVLCSE-UHFFFAOYSA-N
XLogP6.32
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol?
The IUPAC name of 1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol (CID 71003272) is 1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol?
The canonical SMILES for 1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol is Cc1cc(Nc2cc(C(F)F)ccn2)nc(-c2ccc(C(C)(O)C3CCCCC3)nc2)c1.
What is the InChIKey of 1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol?
The InChIKey is FUBLSSCGOVLCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O/c1-16-12-20(30-23(13-16)31-22-14-17(24(26)27)10-11-28-22)18-8-9-21(29-15-18)25(2,32)19-6-4-3-5-7-19/h8-15,19,24,32H,3-7H2,1-2H3,(H,28,30,31).
What are the key properties of 1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol?
1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol has a molecular weight of 438.52 g/mol, XLogP of 6.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]ethanol is sourced from PubChem (CID 71003272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).