4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C22H20N4O2 — CID 20920038

IUPAC4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C(c1ccc(CN2C(=O)CCn3nccc32)cc1)N1CCc2ccccc21
InChIInChI=1S/C22H20N4O2/c27-21-11-14-26-20(9-12-23-26)25(21)15-16-5-7-18(8-6-16)22(28)24-13-10-17-3-1-2-4-19(17)24/h1-9,12H,10-11,13-15H2
InChIKeyJORDSWMWINOPQH-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.02
Rot. Bonds3

About 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 20920038) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
PubChem CID20920038
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESO=C(c1ccc(CN2C(=O)CCn3nccc32)cc1)N1CCc2ccccc21
InChIInChI=1S/C22H20N4O2/c27-21-11-14-26-20(9-12-23-26)25(21)15-16-5-7-18(8-6-16)22(28)24-13-10-17-3-1-2-4-19(17)24/h1-9,12H,10-11,13-15H2
InChIKeyJORDSWMWINOPQH-UHFFFAOYSA-N
XLogP3.02
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one with MolForge

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Related Compounds

4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoic acid
CID 20885436
4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 20919982
2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 43926287
methyl 2-[[4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoyl]amino]benzoate
CID 53023091
N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 20920002
N-[(4-methoxyphenyl)methyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 53023090
1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 167792230
N-(2,3-dimethylcyclohexyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 20919998
1-[(4-chlorophenyl)methyl]-5-(2,3-dihydroindole-1-carbonyl)pyridin-2-one
CID 26843891
N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 93052356
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 20907951

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 20920038) is 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is O=C(c1ccc(CN2C(=O)CCn3nccc32)cc1)N1CCc2ccccc21.
What is the InChIKey of 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JORDSWMWINOPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21-11-14-26-20(9-12-23-26)25(21)15-16-5-7-18(8-6-16)22(28)24-13-10-17-3-1-2-4-19(17)24/h1-9,12H,10-11,13-15H2.
What are the key properties of 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 372.43 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 20920038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).