3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C23H24N6O — CID 135985445

IUPAC3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nn(-c2ccccc2)c2nc(C3CCN(c4cccnc4)CC3)[nH]c(=O)c12
InChIInChI=1S/C23H24N6O/c1-2-19-20-22(29(27-19)17-7-4-3-5-8-17)25-21(26-23(20)30)16-10-13-28(14-11-16)18-9-6-12-24-15-18/h3-9,12,15-16H,2,10-11,13-14H2,1H3,(H,25,26,30)
InChIKeyVJMFDZNWEVFZTI-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.45
Rot. Bonds4

About 3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135985445) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135985445
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nn(-c2ccccc2)c2nc(C3CCN(c4cccnc4)CC3)[nH]c(=O)c12
InChIInChI=1S/C23H24N6O/c1-2-19-20-22(29(27-19)17-7-4-3-5-8-17)25-21(26-23(20)30)16-10-13-28(14-11-16)18-9-6-12-24-15-18/h3-9,12,15-16H,2,10-11,13-14H2,1H3,(H,25,26,30)
InChIKeyVJMFDZNWEVFZTI-UHFFFAOYSA-N
XLogP3.45
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(cyclohexylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329169
8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753211
Dipyridodiazepinone deriv. 52
CID 463572
Dipyridodiazepinone deriv. 53
CID 463573
6-cyclopropyl-N-[1-(2-phenylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328634
N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328990
6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330913
6-{[(1r,2s)-2-Aminocyclohexyl]amino}-4-[(5,6-Dimethylpyridin-2-Yl)amino]pyridazine-3-Carboxamide
CID 71626896
N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide
CID 90216982
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19i
CID 135402958
(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 11988837
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135985445) is 3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCc1nn(-c2ccccc2)c2nc(C3CCN(c4cccnc4)CC3)[nH]c(=O)c12.
What is the InChIKey of 3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VJMFDZNWEVFZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-2-19-20-22(29(27-19)17-7-4-3-5-8-17)25-21(26-23(20)30)16-10-13-28(14-11-16)18-9-6-12-24-15-18/h3-9,12,15-16H,2,10-11,13-14H2,1H3,(H,25,26,30).
What are the key properties of 3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 400.49 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenyl-6-(1-pyridin-3-ylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135985445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).