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

C21H20N6O — CID 146407876

IUPAC6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc2c1=O
InChIInChI=1S/C21H20N6O/c1-25-12-22-16-7-4-13(11-15(16)21(25)28)20-19(23-18-3-2-9-26(18)20)17-8-10-27(24-17)14-5-6-14/h4,7-8,10-12,14H,2-3,5-6,9H2,1H3
InChIKeyNCHFANQSZAXKKB-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.94
Rot. Bonds3

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

6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one (PubChem CID 146407876) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one
PubChem CID146407876
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc2c1=O
InChIInChI=1S/C21H20N6O/c1-25-12-22-16-7-4-13(11-15(16)21(25)28)20-19(23-18-3-2-9-26(18)20)17-8-10-27(24-17)14-5-6-14/h4,7-8,10-12,14H,2-3,5-6,9H2,1H3
InChIKeyNCHFANQSZAXKKB-UHFFFAOYSA-N
XLogP2.94
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one?
The IUPAC name of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one (CID 146407876) is 6-[2-(1-cyclopropylpyrazol-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-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one is Cn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc2c1=O.
What is the InChIKey of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one?
The InChIKey is NCHFANQSZAXKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-25-12-22-16-7-4-13(11-15(16)21(25)28)20-19(23-18-3-2-9-26(18)20)17-8-10-27(24-17)14-5-6-14/h4,7-8,10-12,14H,2-3,5-6,9H2,1H3.
What are the key properties of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one?
6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one has a molecular weight of 372.43 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 146407876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).