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]-3H-quinazolin-4-one;methanol

C42H42N12O3 — CID 163558229

IUPAC6-[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]-3H-quinazolin-4-one;methanol
SMILESCO.Cn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc2c1=O.O=c1[nH]cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc12
InChIInChI=1S/C21H20N6O.C20H18N6O.CH4O/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;27-20-14-10-12(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;1-2/h4,7-8,10-12,14H,2-3,5-6,9H2,1H3;3,6-7,9-11,13H,1-2,4-5,8H2,(H,21,22,27);2H,1H3
InChIKeyFOYFJTCXZVFYBE-UHFFFAOYSA-N
MW762.88 g/mol
LogP5.48
Rot. Bonds6

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]-3H-quinazolin-4-one;methanol

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]-3H-quinazolin-4-one;methanol (PubChem CID 163558229) has the molecular formula C42H42N12O3 and a molecular weight of 762.88 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;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;methanol.

Molecular Properties

Compound Name6-[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]-3H-quinazolin-4-one;methanol
PubChem CID163558229
Molecular FormulaC42H42N12O3
Molecular Weight762.88 g/mol
Exact Mass762.35
IUPAC Name6-[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]-3H-quinazolin-4-one;methanol
SMILESCO.Cn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc2c1=O.O=c1[nH]cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc12
InChIInChI=1S/C21H20N6O.C20H18N6O.CH4O/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;27-20-14-10-12(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;1-2/h4,7-8,10-12,14H,2-3,5-6,9H2,1H3;3,6-7,9-11,13H,1-2,4-5,8H2,(H,21,22,27);2H,1H3
InChIKeyFOYFJTCXZVFYBE-UHFFFAOYSA-N
XLogP5.48
TPSA172.15 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.88
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 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]-3H-quinazolin-4-one;methanol with MolForge

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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;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;methanol?
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;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;methanol (CID 163558229) is 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]-3H-quinazolin-4-one;methanol.
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;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;methanol?
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;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;methanol is CO.Cn1cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCC4)cc2c1=O.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]-3-methylquinazolin-4-one;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;methanol?
The InChIKey is FOYFJTCXZVFYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O.C20H18N6O.CH4O/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;27-20-14-10-12(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;1-2/h4,7-8,10-12,14H,2-3,5-6,9H2,1H3;3,6-7,9-11,13H,1-2,4-5,8H2,(H,21,22,27);2H,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]-3H-quinazolin-4-one;methanol?
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]-3H-quinazolin-4-one;methanol has a molecular weight of 762.88 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 14 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;6-[2-(1-cyclopropylpyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one;methanol is sourced from PubChem (CID 163558229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).