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

C20H19N7O — CID 146407964

IUPAC6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCN4)cc2c1=O
InChIInChI=1S/C20H19N7O/c1-25-11-22-15-5-2-12(10-14(15)19(25)28)18-17(23-20-21-7-9-26(18)20)16-6-8-27(24-16)13-3-4-13/h2,5-6,8,10-11,13H,3-4,7,9H2,1H3,(H,21,23)
InChIKeyLDSYDBOXVOXJBF-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.42
Rot. Bonds3

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

6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one (PubChem CID 146407964) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one
PubChem CID146407964
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCN4)cc2c1=O
InChIInChI=1S/C20H19N7O/c1-25-11-22-15-5-2-12(10-14(15)19(25)28)18-17(23-20-21-7-9-26(18)20)16-6-8-27(24-16)13-3-4-13/h2,5-6,8,10-11,13H,3-4,7,9H2,1H3,(H,21,23)
InChIKeyLDSYDBOXVOXJBF-UHFFFAOYSA-N
XLogP2.42
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one?
The IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one (CID 146407964) is 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one is Cn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCN4)cc2c1=O.
What is the InChIKey of 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one?
The InChIKey is LDSYDBOXVOXJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-25-11-22-15-5-2-12(10-14(15)19(25)28)18-17(23-20-21-7-9-26(18)20)16-6-8-27(24-16)13-3-4-13/h2,5-6,8,10-11,13H,3-4,7,9H2,1H3,(H,21,23).
What are the key properties of 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one?
6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one has a molecular weight of 373.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 146407964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).