6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one

C29H29N5O2 — CID 156513249

IUPAC6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c(n(Cc3cccnc3)n1CCc1ccccc1)CN(C(O)c1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C29H29N5O2/c35-28-24-13-15-32(29(36)26-17-23-10-4-5-11-25(23)31-26)20-27(24)34(19-22-9-6-14-30-18-22)33(28)16-12-21-7-2-1-3-8-21/h1-11,14,17-18,29,31,36H,12-13,15-16,19-20H2
InChIKeyOQPGIXHNFKBXHY-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.87
Rot. Bonds7

About 6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one

6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 156513249) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID156513249
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c(n(Cc3cccnc3)n1CCc1ccccc1)CN(C(O)c1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C29H29N5O2/c35-28-24-13-15-32(29(36)26-17-23-10-4-5-11-25(23)31-26)20-27(24)34(19-22-9-6-14-30-18-22)33(28)16-12-21-7-2-1-3-8-21/h1-11,14,17-18,29,31,36H,12-13,15-16,19-20H2
InChIKeyOQPGIXHNFKBXHY-UHFFFAOYSA-N
XLogP3.87
TPSA79.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Benzamide, N-(1-(2-hydroxy-2-(1H-indol-3-yl)ethyl)-4-piperidinyl)-
CID 215402
3-[1-Hydroxy-2-(4-benzamidopiperazin-1-yl)ethyl]indole
CID 12392227
[9-benzyl-1-(1H-indol-3-yl)pyrido[3,4-b]indol-3-yl]methanol
CID 145994300
(6-fluoro-3-pyridinyl)-[3-[5-(1H-indol-2-yl)-2H-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 69323273
1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-oxo-1,5-naphthyridine-3-carboxamide
CID 89731836
5-[hydroxy(1H-indol-2-yl)methyl]-N-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 153574390
1-[(4-fluorophenyl)methyl]-3-[[2-hydroxy-2-(1H-indol-3-yl)ethyl]amino]pyrrolidin-2-one
CID 163362063
(6-fluoro-1H-indol-2-yl)-[propan-2-yl(pyridin-2-ylmethyl)amino]methanol
CID 169618551
(E,4R)-2-ethyl-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-4-phenyl-N-prop-2-enylbut-2-enamide
CID 135026245
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide
CID 166191205
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-oxo-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)butanamide
CID 132467098
(2E)-3-[6-(tert-Butyl)(3-pyridyl)]-N-[2-(hydroxymethyl)indol-5-yl]prop-2-enamide
CID 10286812

Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (CID 156513249) is 6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is O=c1c2c(n(Cc3cccnc3)n1CCc1ccccc1)CN(C(O)c1cc3ccccc3[nH]1)CC2.
What is the InChIKey of 6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is OQPGIXHNFKBXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c35-28-24-13-15-32(29(36)26-17-23-10-4-5-11-25(23)31-26)20-27(24)34(19-22-9-6-14-30-18-22)33(28)16-12-21-7-2-1-3-8-21/h1-11,14,17-18,29,31,36H,12-13,15-16,19-20H2.
What are the key properties of 6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 479.58 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy(1H-indol-2-yl)methyl]-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 156513249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).