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

C24H27F2N5O — CID 130446853

IUPAC2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
SMILESOc1cc(-c2ccc3ncnc(NC4CCC(N5CCC(F)CC5)CC4)c3c2)cnc1F
InChIInChI=1S/C24H27F2N5O/c25-17-7-9-31(10-8-17)19-4-2-18(3-5-19)30-24-20-11-15(1-6-21(20)28-14-29-24)16-12-22(32)23(26)27-13-16/h1,6,11-14,17-19,32H,2-5,7-10H2,(H,28,29,30)
InChIKeyMBPDMDMYRMNMQF-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.69
Rot. Bonds4

About 2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol

2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol (PubChem CID 130446853) has the molecular formula C24H27F2N5O and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
PubChem CID130446853
Molecular FormulaC24H27F2N5O
Molecular Weight439.51 g/mol
Exact Mass439.22
IUPAC Name2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol
SMILESOc1cc(-c2ccc3ncnc(NC4CCC(N5CCC(F)CC5)CC4)c3c2)cnc1F
InChIInChI=1S/C24H27F2N5O/c25-17-7-9-31(10-8-17)19-4-2-18(3-5-19)30-24-20-11-15(1-6-21(20)28-14-29-24)16-12-22(32)23(26)27-13-16/h1,6,11-14,17-19,32H,2-5,7-10H2,(H,28,29,30)
InChIKeyMBPDMDMYRMNMQF-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The IUPAC name of 2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol (CID 130446853) is 2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol.
What is the SMILES notation for 2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The canonical SMILES for 2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol is Oc1cc(-c2ccc3ncnc(NC4CCC(N5CCC(F)CC5)CC4)c3c2)cnc1F.
What is the InChIKey of 2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
The InChIKey is MBPDMDMYRMNMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O/c25-17-7-9-31(10-8-17)19-4-2-18(3-5-19)30-24-20-11-15(1-6-21(20)28-14-29-24)16-12-22(32)23(26)27-13-16/h1,6,11-14,17-19,32H,2-5,7-10H2,(H,28,29,30).
What are the key properties of 2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol?
2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol has a molecular weight of 439.51 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-[[4-(4-fluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol is sourced from PubChem (CID 130446853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).