5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol

C24H26F3N5O — CID 121266043

IUPAC5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol
SMILESOc1cc(-c2ccc3ncnc(NC4CCC(N5CCC(F)(F)CC5)CC4)c3c2)cnc1F
InChIInChI=1S/C24H26F3N5O/c25-22-21(33)12-16(13-28-22)15-1-6-20-19(11-15)23(30-14-29-20)31-17-2-4-18(5-3-17)32-9-7-24(26,27)8-10-32/h1,6,11-14,17-18,33H,2-5,7-10H2,(H,29,30,31)
InChIKeyRLXBLFHVWZDCBN-UHFFFAOYSA-N
MW457.50 g/mol
LogP4.99
Rot. Bonds4

About 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol

5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol (PubChem CID 121266043) has the molecular formula C24H26F3N5O and a molecular weight of 457.50 g/mol. Its IUPAC name is 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol.

Molecular Properties

Compound Name5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol
PubChem CID121266043
Molecular FormulaC24H26F3N5O
Molecular Weight457.50 g/mol
Exact Mass457.21
IUPAC Name5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol
SMILESOc1cc(-c2ccc3ncnc(NC4CCC(N5CCC(F)(F)CC5)CC4)c3c2)cnc1F
InChIInChI=1S/C24H26F3N5O/c25-22-21(33)12-16(13-28-22)15-1-6-20-19(11-15)23(30-14-29-20)31-17-2-4-18(5-3-17)32-9-7-24(26,27)8-10-32/h1,6,11-14,17-18,33H,2-5,7-10H2,(H,29,30,31)
InChIKeyRLXBLFHVWZDCBN-UHFFFAOYSA-N
XLogP4.99
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol?
The IUPAC name of 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol (CID 121266043) is 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol.
What is the SMILES notation for 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol?
The canonical SMILES for 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol is Oc1cc(-c2ccc3ncnc(NC4CCC(N5CCC(F)(F)CC5)CC4)c3c2)cnc1F.
What is the InChIKey of 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol?
The InChIKey is RLXBLFHVWZDCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O/c25-22-21(33)12-16(13-28-22)15-1-6-20-19(11-15)23(30-14-29-20)31-17-2-4-18(5-3-17)32-9-7-24(26,27)8-10-32/h1,6,11-14,17-18,33H,2-5,7-10H2,(H,29,30,31).
What are the key properties of 5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol?
5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol has a molecular weight of 457.50 g/mol, XLogP of 4.99, 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]-2-fluoropyridin-3-ol is sourced from PubChem (CID 121266043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).