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

C20H18N6O — CID 146407875

IUPAC6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc12
InChIInChI=1S/C20H18N6O/c27-20-14-10-12(3-6-15(14)21-11-22-20)19-18(23-17-2-1-8-25(17)19)16-7-9-26(24-16)13-4-5-13/h3,6-7,9-11,13H,1-2,4-5,8H2,(H,21,22,27)
InChIKeyPAZHLCGFUZMKLO-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.93
Rot. Bonds3

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

6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one (PubChem CID 146407875) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one
PubChem CID146407875
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc12
InChIInChI=1S/C20H18N6O/c27-20-14-10-12(3-6-15(14)21-11-22-20)19-18(23-17-2-1-8-25(17)19)16-7-9-26(24-16)13-4-5-13/h3,6-7,9-11,13H,1-2,4-5,8H2,(H,21,22,27)
InChIKeyPAZHLCGFUZMKLO-UHFFFAOYSA-N
XLogP2.93
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
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]-3H-quinazolin-4-one?
The IUPAC name of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one (CID 146407875) is 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-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]-3H-quinazolin-4-one?
The canonical SMILES for 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one is O=c1[nH]cnc2ccc(-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]-3H-quinazolin-4-one?
The InChIKey is PAZHLCGFUZMKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c27-20-14-10-12(3-6-15(14)21-11-22-20)19-18(23-17-2-1-8-25(17)19)16-7-9-26(24-16)13-4-5-13/h3,6-7,9-11,13H,1-2,4-5,8H2,(H,21,22,27).
What are the key properties of 6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one?
6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one has a molecular weight of 358.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 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]-3H-quinazolin-4-one is sourced from PubChem (CID 146407875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).