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

C20H18FN5O2 — CID 135259151

IUPAC6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
SMILESCc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)NC21CCCC1
InChIInChI=1S/C20H18FN5O2/c1-11-8-15(24-17-13-9-12(21)4-5-14(13)22-10-23-17)19(28)26-16(11)18(27)25-20(26)6-2-3-7-20/h4-5,8-10H,2-3,6-7H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyFHOIBRMONMHQLO-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.95
Rot. Bonds2

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

6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione (PubChem CID 135259151) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione.

Molecular Properties

Compound Name6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
PubChem CID135259151
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
SMILESCc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)NC21CCCC1
InChIInChI=1S/C20H18FN5O2/c1-11-8-15(24-17-13-9-12(21)4-5-14(13)22-10-23-17)19(28)26-16(11)18(27)25-20(26)6-2-3-7-20/h4-5,8-10H,2-3,6-7H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyFHOIBRMONMHQLO-UHFFFAOYSA-N
XLogP2.95
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.95
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'-cyclopentane]-1,5-dione?
The IUPAC name of 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione (CID 135259151) is 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-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'-cyclopentane]-1,5-dione?
The canonical SMILES for 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione is Cc1cc(Nc2ncnc3ccc(F)cc23)c(=O)n2c1C(=O)NC21CCCC1.
What is the InChIKey of 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The InChIKey is FHOIBRMONMHQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-11-8-15(24-17-13-9-12(21)4-5-14(13)22-10-23-17)19(28)26-16(11)18(27)25-20(26)6-2-3-7-20/h4-5,8-10H,2-3,6-7H2,1H3,(H,25,27)(H,22,23,24).
What are the key properties of 6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
6-[(6-fluoroquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione has a molecular weight of 379.40 g/mol, XLogP of 2.95, 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'-cyclopentane]-1,5-dione is sourced from PubChem (CID 135259151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).