2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one

C21H20ClN5O2 — CID 46189305

IUPAC2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESO=C1c2nn(-c3ccc(Cl)cc3)cc2CN1c1ccc(N2CCC(O)CC2)nc1
InChIInChI=1S/C21H20ClN5O2/c22-15-1-3-16(4-2-15)27-13-14-12-26(21(29)20(14)24-27)17-5-6-19(23-11-17)25-9-7-18(28)8-10-25/h1-6,11,13,18,28H,7-10,12H2
InChIKeyOJPNXTCJYYUMIA-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.04
Rot. Bonds3

About 2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one

2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 46189305) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID46189305
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESO=C1c2nn(-c3ccc(Cl)cc3)cc2CN1c1ccc(N2CCC(O)CC2)nc1
InChIInChI=1S/C21H20ClN5O2/c22-15-1-3-16(4-2-15)27-13-14-12-26(21(29)20(14)24-27)17-5-6-19(23-11-17)25-9-7-18(28)8-10-25/h1-6,11,13,18,28H,7-10,12H2
InChIKeyOJPNXTCJYYUMIA-UHFFFAOYSA-N
XLogP3.04
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-5-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46188600
2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46188603
6-(5-chloro-2-pyridinyl)-3-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 45278576
2-(4-chlorophenyl)-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46188602
N-[1-[5-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide
CID 46188776
5-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-(4-chlorophenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46188779
5-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-2-(4-chlorophenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46189674
US10766903, Example 216
CID 134451352
US10766903, Example 229
CID 134451553
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N,4-dimethyl-5-pyrrol-1-ylpyrazole-3-carboxamide
CID 156019697
[4-(3-Chlorophenyl)piperazino][6-methyl-4-(1-pyrrolidinyl)pyrazolo[1,5-a]pyrazin-2-yl]methanone
CID 91891272
[1-(4-Chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 21105028

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 46189305) is 2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one is O=C1c2nn(-c3ccc(Cl)cc3)cc2CN1c1ccc(N2CCC(O)CC2)nc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is OJPNXTCJYYUMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c22-15-1-3-16(4-2-15)27-13-14-12-26(21(29)20(14)24-27)17-5-6-19(23-11-17)25-9-7-18(28)8-10-25/h1-6,11,13,18,28H,7-10,12H2.
What are the key properties of 2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one?
2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 409.88 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 46189305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).