(7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

C26H26N4O3 — CID 95114121

IUPAC(7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cccc(N2CCN(C(=O)C[C@@H]3c4ncccc4C(=O)N3c3ccccc3)CC2)c1
InChIInChI=1S/C26H26N4O3/c1-33-21-10-5-9-20(17-21)28-13-15-29(16-14-28)24(31)18-23-25-22(11-6-12-27-25)26(32)30(23)19-7-3-2-4-8-19/h2-12,17,23H,13-16,18H2,1H3/t23-/m1/s1
InChIKeyQIJVEPQJAKDBJI-HSZRJFAPSA-N
MW442.52 g/mol
LogP3.53
Rot. Bonds5

About (7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

(7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 95114121) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is (7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID95114121
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name(7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cccc(N2CCN(C(=O)C[C@@H]3c4ncccc4C(=O)N3c3ccccc3)CC2)c1
InChIInChI=1S/C26H26N4O3/c1-33-21-10-5-9-20(17-21)28-13-15-29(16-14-28)24(31)18-23-25-22(11-6-12-27-25)26(32)30(23)19-7-3-2-4-8-19/h2-12,17,23H,13-16,18H2,1H3/t23-/m1/s1
InChIKeyQIJVEPQJAKDBJI-HSZRJFAPSA-N
XLogP3.53
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-(azepan-1-yl)-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71839582
(7S)-7-(2-morpholin-4-yl-2-oxoethyl)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95114134
(7R)-6-(4-methylphenyl)-7-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95114135
2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid
CID 53213909
6-(4-methylphenyl)-7-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71839530
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrido[2,3-b][1,5]benzothiazepin-5-one
CID 46341138
(7R)-7-(2,4-dimethoxyanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714585
2-(cyclopropylmethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829431
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 78878555
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of (7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 95114121) is (7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for (7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one is COc1cccc(N2CCN(C(=O)C[C@@H]3c4ncccc4C(=O)N3c3ccccc3)CC2)c1.
What is the InChIKey of (7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is QIJVEPQJAKDBJI-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-33-21-10-5-9-20(17-21)28-13-15-29(16-14-28)24(31)18-23-25-22(11-6-12-27-25)26(32)30(23)19-7-3-2-4-8-19/h2-12,17,23H,13-16,18H2,1H3/t23-/m1/s1.
What are the key properties of (7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one?
(7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 442.52 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 95114121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).