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

C21H20FN5O2 — CID 135259005

IUPAC6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C21H20FN5O2/c1-12-9-16(25-18-14-10-13(22)5-6-15(14)23-11-24-18)20(29)27-17(12)19(28)26-21(27)7-3-2-4-8-21/h5-6,9-11H,2-4,7-8H2,1H3,(H,26,28)(H,23,24,25)
InChIKeyMNEMPCGKBGLJSS-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.34
Rot. Bonds2

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

6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 135259005) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID135259005
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C21H20FN5O2/c1-12-9-16(25-18-14-10-13(22)5-6-15(14)23-11-24-18)20(29)27-17(12)19(28)26-21(27)7-3-2-4-8-21/h5-6,9-11H,2-4,7-8H2,1H3,(H,26,28)(H,23,24,25)
InChIKeyMNEMPCGKBGLJSS-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

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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'-cyclohexane]-1,5-dione?
The IUPAC name of 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 135259005) is 6-[(6-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-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)NC21CCCCC1.
What is the InChIKey of 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is MNEMPCGKBGLJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-12-9-16(25-18-14-10-13(22)5-6-15(14)23-11-24-18)20(29)27-17(12)19(28)26-21(27)7-3-2-4-8-21/h5-6,9-11H,2-4,7-8H2,1H3,(H,26,28)(H,23,24,25).
What are the key properties of 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
6-[(6-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-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 135259005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).