(4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone

C29H28N4O2 — CID 159548178

IUPAC(4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone
SMILESO=C(c1cc(-c2ccc(O)cc2)nc2c1C(/C=C/c1ccccc1)=NC2)N1CCN(C2CC2)CC1
InChIInChI=1S/C29H28N4O2/c34-23-11-7-21(8-12-23)26-18-24(29(35)33-16-14-32(15-17-33)22-9-10-22)28-25(30-19-27(28)31-26)13-6-20-4-2-1-3-5-20/h1-8,11-13,18,22,34H,9-10,14-17,19H2/b13-6+
InChIKeyMFBFNAUBCWOJJC-AWNIVKPZSA-N
MW464.57 g/mol
LogP4.39
Rot. Bonds5

About (4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone

(4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone (PubChem CID 159548178) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone
PubChem CID159548178
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone
SMILESO=C(c1cc(-c2ccc(O)cc2)nc2c1C(/C=C/c1ccccc1)=NC2)N1CCN(C2CC2)CC1
InChIInChI=1S/C29H28N4O2/c34-23-11-7-21(8-12-23)26-18-24(29(35)33-16-14-32(15-17-33)22-9-10-22)28-25(30-19-27(28)31-26)13-6-20-4-2-1-3-5-20/h1-8,11-13,18,22,34H,9-10,14-17,19H2/b13-6+
InChIKeyMFBFNAUBCWOJJC-AWNIVKPZSA-N
XLogP4.39
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone with MolForge

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Related Compounds

1-[4-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 159814676
4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid
CID 137071534
4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 137046294
2-[4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 137159615
[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 31429655
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 31429653
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
(6-methyl-2-phenylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 42749683
(4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone
CID 24615482
(2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone
CID 24993698
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55501194

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone (CID 159548178) is (4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone is O=C(c1cc(-c2ccc(O)cc2)nc2c1C(/C=C/c1ccccc1)=NC2)N1CCN(C2CC2)CC1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone?
The InChIKey is MFBFNAUBCWOJJC-AWNIVKPZSA-N. The full InChI is InChI=1S/C29H28N4O2/c34-23-11-7-21(8-12-23)26-18-24(29(35)33-16-14-32(15-17-33)22-9-10-22)28-25(30-19-27(28)31-26)13-6-20-4-2-1-3-5-20/h1-8,11-13,18,22,34H,9-10,14-17,19H2/b13-6+.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone?
(4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone has a molecular weight of 464.57 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 159548178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).