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

C21H20N6 — CID 163571901

IUPAC6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-4-methylquinazoline
SMILESCc1ncnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc12
InChIInChI=1S/C21H20N6/c1-13-16-11-14(4-7-17(16)23-12-22-13)21-20(24-19-3-2-9-26(19)21)18-8-10-27(25-18)15-5-6-15/h4,7-8,10-12,15H,2-3,5-6,9H2,1H3
InChIKeyRMZWQPVMLPVIKE-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.95
Rot. Bonds3

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

6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-4-methylquinazoline (PubChem CID 163571901) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-4-methylquinazoline.

Molecular Properties

Compound Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-4-methylquinazoline
PubChem CID163571901
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-4-methylquinazoline
SMILESCc1ncnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc12
InChIInChI=1S/C21H20N6/c1-13-16-11-14(4-7-17(16)23-12-22-13)21-20(24-19-3-2-9-26(19)21)18-8-10-27(25-18)15-5-6-15/h4,7-8,10-12,15H,2-3,5-6,9H2,1H3
InChIKeyRMZWQPVMLPVIKE-UHFFFAOYSA-N
XLogP3.95
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]-4-methylquinazoline?
The IUPAC name of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-4-methylquinazoline (CID 163571901) is 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-4-methylquinazoline.
What is the SMILES notation for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-4-methylquinazoline?
The canonical SMILES for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-4-methylquinazoline is Cc1ncnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc12.
What is the InChIKey of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-4-methylquinazoline?
The InChIKey is RMZWQPVMLPVIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-13-16-11-14(4-7-17(16)23-12-22-13)21-20(24-19-3-2-9-26(19)21)18-8-10-27(25-18)15-5-6-15/h4,7-8,10-12,15H,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]-4-methylquinazoline?
6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-4-methylquinazoline has a molecular weight of 356.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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]-4-methylquinazoline is sourced from PubChem (CID 163571901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).