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

C19H17N7O — CID 146407923

IUPAC6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCN4)cc12
InChIInChI=1S/C19H17N7O/c27-18-13-9-11(1-4-14(13)21-10-22-18)17-16(23-19-20-6-8-25(17)19)15-5-7-26(24-15)12-2-3-12/h1,4-5,7,9-10,12H,2-3,6,8H2,(H,20,23)(H,21,22,27)
InChIKeyGMKMTEKTPNHSDV-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.41
Rot. Bonds3

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

6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3H-quinazolin-4-one (PubChem CID 146407923) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3H-quinazolin-4-one
PubChem CID146407923
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCN4)cc12
InChIInChI=1S/C19H17N7O/c27-18-13-9-11(1-4-14(13)21-10-22-18)17-16(23-19-20-6-8-25(17)19)15-5-7-26(24-15)12-2-3-12/h1,4-5,7,9-10,12H,2-3,6,8H2,(H,20,23)(H,21,22,27)
InChIKeyGMKMTEKTPNHSDV-UHFFFAOYSA-N
XLogP2.41
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-3H-quinazolin-4-one?
The IUPAC name of 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3H-quinazolin-4-one (CID 146407923) is 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3H-quinazolin-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]-3H-quinazolin-4-one?
The canonical SMILES for 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3H-quinazolin-4-one is O=c1[nH]cnc2ccc(-c3c(-c4ccn(C5CC5)n4)nc4n3CCN4)cc12.
What is the InChIKey of 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3H-quinazolin-4-one?
The InChIKey is GMKMTEKTPNHSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c27-18-13-9-11(1-4-14(13)21-10-22-18)17-16(23-19-20-6-8-25(17)19)15-5-7-26(24-15)12-2-3-12/h1,4-5,7,9-10,12H,2-3,6,8H2,(H,20,23)(H,21,22,27).
What are the key properties of 6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3H-quinazolin-4-one?
6-[6-(1-cyclopropylpyrazol-3-yl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-3H-quinazolin-4-one has a molecular weight of 359.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 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]-3H-quinazolin-4-one is sourced from PubChem (CID 146407923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).