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

C29H26N4O3 — CID 53003700

IUPAC4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCOc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C29H26N4O3/c1-36-24-12-10-21(11-13-24)25-18-27-32(28(34)15-17-33(27)30-25)19-20-6-8-23(9-7-20)29(35)31-16-14-22-4-2-3-5-26(22)31/h2-13,18H,14-17,19H2,1H3
InChIKeyZMPZFSDVDLDLAY-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.70
Rot. Bonds5

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

4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 53003700) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
PubChem CID53003700
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC Name4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCOc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C29H26N4O3/c1-36-24-12-10-21(11-13-24)25-18-27-32(28(34)15-17-33(27)30-25)19-20-6-8-23(9-7-20)29(35)31-16-14-22-4-2-3-5-26(22)31/h2-13,18H,14-17,19H2,1H3
InChIKeyZMPZFSDVDLDLAY-UHFFFAOYSA-N
XLogP4.70
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 53003700) is 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is COc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1.
What is the InChIKey of 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is ZMPZFSDVDLDLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-36-24-12-10-21(11-13-24)25-18-27-32(28(34)15-17-33(27)30-25)19-20-6-8-23(9-7-20)29(35)31-16-14-22-4-2-3-5-26(22)31/h2-13,18H,14-17,19H2,1H3.
What are the key properties of 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 478.55 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 53003700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).