(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone

C25H25N5O2 — CID 112807516

IUPAC(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCCn1ncc2c(C(=O)N3CCN(c4cccc(O)c4)CC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C25H25N5O2/c1-2-30-24-22(17-26-30)21(16-23(27-24)18-7-4-3-5-8-18)25(32)29-13-11-28(12-14-29)19-9-6-10-20(31)15-19/h3-10,15-17,31H,2,11-14H2,1H3
InChIKeyGITLJKBQBSDBAT-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.79
Rot. Bonds4

About (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone

(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 112807516) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID112807516
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCCn1ncc2c(C(=O)N3CCN(c4cccc(O)c4)CC3)cc(-c3ccccc3)nc21
InChIInChI=1S/C25H25N5O2/c1-2-30-24-22(17-26-30)21(16-23(27-24)18-7-4-3-5-8-18)25(32)29-13-11-28(12-14-29)19-9-6-10-20(31)15-19/h3-10,15-17,31H,2,11-14H2,1H3
InChIKeyGITLJKBQBSDBAT-UHFFFAOYSA-N
XLogP3.79
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone with MolForge

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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
(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
(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119373427
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 32539440
(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)-(3-methylpiperidin-1-yl)methanone
CID 42931045
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 55803970
(6R)-4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-6-methylmorpholine-2-carboxylic acid
CID 120536024
[4-(3-nitrophenyl)piperazin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 55780554
(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

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone (CID 112807516) is (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone is CCn1ncc2c(C(=O)N3CCN(c4cccc(O)c4)CC3)cc(-c3ccccc3)nc21.
What is the InChIKey of (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is GITLJKBQBSDBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-2-30-24-22(17-26-30)21(16-23(27-24)18-7-4-3-5-8-18)25(32)29-13-11-28(12-14-29)19-9-6-10-20(31)15-19/h3-10,15-17,31H,2,11-14H2,1H3.
What are the key properties of (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone?
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 427.51 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 112807516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).