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

C19H16FN5O2 — CID 135259266

IUPAC6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
SMILESCc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)NC21CCC1
InChIInChI=1S/C19H16FN5O2/c1-10-7-14(18(27)25-15(10)17(26)24-19(25)5-2-6-19)23-16-12-8-11(20)3-4-13(12)21-9-22-16/h3-4,7-9H,2,5-6H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyRJGWMZHKHBMJEL-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.56
Rot. Bonds2

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

6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione (PubChem CID 135259266) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione.

Molecular Properties

Compound Name6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
PubChem CID135259266
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
SMILESCc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)NC21CCC1
InChIInChI=1S/C19H16FN5O2/c1-10-7-14(18(27)25-15(10)17(26)24-19(25)5-2-6-19)23-16-12-8-11(20)3-4-13(12)21-9-22-16/h3-4,7-9H,2,5-6H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyRJGWMZHKHBMJEL-UHFFFAOYSA-N
XLogP2.56
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione?
The IUPAC name of 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione (CID 135259266) is 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione.
What is the SMILES notation for 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione?
The canonical SMILES for 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione is Cc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)NC21CCC1.
What is the InChIKey of 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione?
The InChIKey is RJGWMZHKHBMJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-10-7-14(18(27)25-15(10)17(26)24-19(25)5-2-6-19)23-16-12-8-11(20)3-4-13(12)21-9-22-16/h3-4,7-9H,2,5-6H2,1H3,(H,24,26)(H,21,22,23).
What are the key properties of 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione?
6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione has a molecular weight of 365.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione is sourced from PubChem (CID 135259266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).