3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one

C28H25N5O2 — CID 166184284

IUPAC3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)CC1
InChIInChI=1S/C28H25N5O2/c34-27-25(22-8-4-5-9-24(22)30-27)19-12-16-32(17-13-19)28(35)23-18-33(21-6-2-1-3-7-21)31-26(23)20-10-14-29-15-11-20/h1-11,14-15,18-19,25H,12-13,16-17H2,(H,30,34)
InChIKeyVWDFNNZNJCPZTD-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.52
Rot. Bonds4

About 3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one

3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one (PubChem CID 166184284) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
PubChem CID166184284
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC Name3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)CC1
InChIInChI=1S/C28H25N5O2/c34-27-25(22-8-4-5-9-24(22)30-27)19-12-16-32(17-13-19)28(35)23-18-33(21-6-2-1-3-7-21)31-26(23)20-10-14-29-15-11-20/h1-11,14-15,18-19,25H,12-13,16-17H2,(H,30,34)
InChIKeyVWDFNNZNJCPZTD-UHFFFAOYSA-N
XLogP4.52
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-diphenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226122
cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 17430545
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46377856
methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
CID 51153893
3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 136530546
(1,3-diphenylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2475806
(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538902
(3aS,6aS)-5-[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one
CID 163317728
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone
CID 167974805
1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide
CID 60588958
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanone
CID 155492081

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one (CID 166184284) is 3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)CC1.
What is the InChIKey of 3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is VWDFNNZNJCPZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c34-27-25(22-8-4-5-9-24(22)30-27)19-12-16-32(17-13-19)28(35)23-18-33(21-6-2-1-3-7-21)31-26(23)20-10-14-29-15-11-20/h1-11,14-15,18-19,25H,12-13,16-17H2,(H,30,34).
What are the key properties of 3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 463.54 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-phenyl-3-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 166184284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).