6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C21H20FN5O2 — CID 135259222

IUPAC6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2ncnc3c(F)cccc23)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C21H20FN5O2/c1-12-10-15(25-18-13-6-5-7-14(22)16(13)23-11-24-18)20(29)27-17(12)19(28)26-21(27)8-3-2-4-9-21/h5-7,10-11H,2-4,8-9H2,1H3,(H,26,28)(H,23,24,25)
InChIKeyUSKJBDJEWVFPGQ-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.34
Rot. Bonds2

About 6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 135259222) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID135259222
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2ncnc3c(F)cccc23)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C21H20FN5O2/c1-12-10-15(25-18-13-6-5-7-14(22)16(13)23-11-24-18)20(29)27-17(12)19(28)26-21(27)8-3-2-4-9-21/h5-7,10-11H,2-4,8-9H2,1H3,(H,26,28)(H,23,24,25)
InChIKeyUSKJBDJEWVFPGQ-UHFFFAOYSA-N
XLogP3.34
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione 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 6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 135259222) is 6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1cc(Nc2ncnc3c(F)cccc23)c(=O)n2c1C(=O)NC21CCCCC1.
What is the InChIKey of 6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is USKJBDJEWVFPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-12-10-15(25-18-13-6-5-7-14(22)16(13)23-11-24-18)20(29)27-17(12)19(28)26-21(27)8-3-2-4-9-21/h5-7,10-11H,2-4,8-9H2,1H3,(H,26,28)(H,23,24,25).
What are the key properties of 6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 393.42 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 135259222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).