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

C24H28FN5O — CID 130446816

IUPAC5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3ncnc(NC4CCC(N5CCC(F)CC5)CC4)c3c2)c1
InChIInChI=1S/C24H28FN5O/c25-18-7-9-30(10-8-18)20-4-2-19(3-5-20)29-24-22-12-16(1-6-23(22)27-15-28-24)17-11-21(31)14-26-13-17/h1,6,11-15,18-20,31H,2-5,7-10H2,(H,27,28,29)
InChIKeySPHTWWPJLZUJRF-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.55
Rot. Bonds4

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

5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol (PubChem CID 130446816) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is 5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
PubChem CID130446816
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC Name5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
SMILESOc1cncc(-c2ccc3ncnc(NC4CCC(N5CCC(F)CC5)CC4)c3c2)c1
InChIInChI=1S/C24H28FN5O/c25-18-7-9-30(10-8-18)20-4-2-19(3-5-20)29-24-22-12-16(1-6-23(22)27-15-28-24)17-11-21(31)14-26-13-17/h1,6,11-15,18-20,31H,2-5,7-10H2,(H,27,28,29)
InChIKeySPHTWWPJLZUJRF-UHFFFAOYSA-N
XLogP4.55
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-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-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The IUPAC name of 5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol (CID 130446816) is 5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol.
What is the SMILES notation for 5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The canonical SMILES for 5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol is Oc1cncc(-c2ccc3ncnc(NC4CCC(N5CCC(F)CC5)CC4)c3c2)c1.
What is the InChIKey of 5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The InChIKey is SPHTWWPJLZUJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c25-18-7-9-30(10-8-18)20-4-2-19(3-5-20)29-24-22-12-16(1-6-23(22)27-15-28-24)17-11-21(31)14-26-13-17/h1,6,11-15,18-20,31H,2-5,7-10H2,(H,27,28,29).
What are the key properties of 5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol has a molecular weight of 421.52 g/mol, XLogP of 4.55, 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-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol is sourced from PubChem (CID 130446816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).