[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone

C28H25N5O3 — CID 32539440

IUPAC[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCCn1ncc2c(C(=O)N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C28H25N5O3/c1-2-33-26-22(18-29-33)21(17-23(30-26)19-8-4-3-5-9-19)27(34)31-12-14-32(15-13-31)28(35)25-16-20-10-6-7-11-24(20)36-25/h3-11,16-18H,2,12-15H2,1H3
InChIKeyWOWMTKBBGKIANA-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.46
Rot. Bonds4

About [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone

[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 32539440) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID32539440
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC Name[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCCn1ncc2c(C(=O)N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C28H25N5O3/c1-2-33-26-22(18-29-33)21(17-23(30-26)19-8-4-3-5-9-19)27(34)31-12-14-32(15-13-31)28(35)25-16-20-10-6-7-11-24(20)36-25/h3-11,16-18H,2,12-15H2,1H3
InChIKeyWOWMTKBBGKIANA-UHFFFAOYSA-N
XLogP4.46
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39571179
(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119373427
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78835833
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560360
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112807516
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 42931045
(6R)-4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-6-methylmorpholine-2-carboxylic acid
CID 120536024
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 55803970
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112807539
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854334
(4-ethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 78791094
(2,3-dimethylpiperazin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 120571860

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone (CID 32539440) is [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone is CCn1ncc2c(C(=O)N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc(-c3ccccc3)nc21.
What is the InChIKey of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is WOWMTKBBGKIANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/c1-2-33-26-22(18-29-33)21(17-23(30-26)19-8-4-3-5-9-19)27(34)31-12-14-32(15-13-31)28(35)25-16-20-10-6-7-11-24(20)36-25/h3-11,16-18H,2,12-15H2,1H3.
What are the key properties of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone?
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 479.54 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 32539440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).