5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol

C24H27F2N5O — CID 130446834

IUPAC5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3ncnc(NC4CCC(N5CCC(F)(F)CC5)CC4)c3c2)c1
InChIInChI=1S/C24H27F2N5O/c25-24(26)7-9-31(10-8-24)19-4-2-18(3-5-19)30-23-21-12-16(1-6-22(21)28-15-29-23)17-11-20(32)14-27-13-17/h1,6,11-15,18-19,32H,2-5,7-10H2,(H,28,29,30)
InChIKeyLSWTUFVJRYVREU-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.85
Rot. Bonds4

About 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol

5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol (PubChem CID 130446834) has the molecular formula C24H27F2N5O and a molecular weight of 439.51 g/mol. Its IUPAC name is 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
PubChem CID130446834
Molecular FormulaC24H27F2N5O
Molecular Weight439.51 g/mol
Exact Mass439.22
IUPAC Name5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3ncnc(NC4CCC(N5CCC(F)(F)CC5)CC4)c3c2)c1
InChIInChI=1S/C24H27F2N5O/c25-24(26)7-9-31(10-8-24)19-4-2-18(3-5-19)30-23-21-12-16(1-6-22(21)28-15-29-23)17-11-20(32)14-27-13-17/h1,6,11-15,18-19,32H,2-5,7-10H2,(H,28,29,30)
InChIKeyLSWTUFVJRYVREU-UHFFFAOYSA-N
XLogP4.85
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The IUPAC name of 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol (CID 130446834) is 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol.
What is the SMILES notation for 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The canonical SMILES for 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol is Oc1cncc(-c2ccc3ncnc(NC4CCC(N5CCC(F)(F)CC5)CC4)c3c2)c1.
What is the InChIKey of 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The InChIKey is LSWTUFVJRYVREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O/c25-24(26)7-9-31(10-8-24)19-4-2-18(3-5-19)30-23-21-12-16(1-6-22(21)28-15-29-23)17-11-20(32)14-27-13-17/h1,6,11-15,18-19,32H,2-5,7-10H2,(H,28,29,30).
What are the key properties of 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol has a molecular weight of 439.51 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol is sourced from PubChem (CID 130446834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).