6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one

C22H22N6O — CID 146405151

IUPAC6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4n3CCC4)cc2c1=O
InChIInChI=1S/C22H22N6O/c1-26-13-23-17-8-7-14(12-16(17)22(26)29)21-20(24-19-6-3-10-27(19)21)18-9-11-28(25-18)15-4-2-5-15/h7-9,11-13,15H,2-6,10H2,1H3
InChIKeyNWVAJZRFFAVRJZ-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.33
Rot. Bonds3

About 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one

6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one (PubChem CID 146405151) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one
PubChem CID146405151
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4n3CCC4)cc2c1=O
InChIInChI=1S/C22H22N6O/c1-26-13-23-17-8-7-14(12-16(17)22(26)29)21-20(24-19-6-3-10-27(19)21)18-9-11-28(25-18)15-4-2-5-15/h7-9,11-13,15H,2-6,10H2,1H3
InChIKeyNWVAJZRFFAVRJZ-UHFFFAOYSA-N
XLogP3.33
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one?
The IUPAC name of 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one (CID 146405151) is 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one is Cn1cnc2ccc(-c3c(-c4ccn(C5CCC5)n4)nc4n3CCC4)cc2c1=O.
What is the InChIKey of 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one?
The InChIKey is NWVAJZRFFAVRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-26-13-23-17-8-7-14(12-16(17)22(26)29)21-20(24-19-6-3-10-27(19)21)18-9-11-28(25-18)15-4-2-5-15/h7-9,11-13,15H,2-6,10H2,1H3.
What are the key properties of 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one?
6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one has a molecular weight of 386.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-cyclobutylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 146405151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).