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

C25H28Cl2N6O — CID 46189308

IUPAC2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride
SMILESCl.O=C1c2nn(-c3ccc(Cl)cc3)cc2CN1c1ccc(N2CCC(N3CCCC3)CC2)nc1
InChIInChI=1S/C25H27ClN6O.ClH/c26-19-3-5-21(6-4-19)32-17-18-16-31(25(33)24(18)28-32)22-7-8-23(27-15-22)30-13-9-20(10-14-30)29-11-1-2-12-29;/h3-8,15,17,20H,1-2,9-14,16H2;1H
InChIKeyPXXGKRCEZZFYMW-UHFFFAOYSA-N
MW499.45 g/mol
LogP4.57
Rot. Bonds4

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

2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride (PubChem CID 46189308) has the molecular formula C25H28Cl2N6O and a molecular weight of 499.45 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride
PubChem CID46189308
Molecular FormulaC25H28Cl2N6O
Molecular Weight499.45 g/mol
Exact Mass498.17
IUPAC Name2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride
SMILESCl.O=C1c2nn(-c3ccc(Cl)cc3)cc2CN1c1ccc(N2CCC(N3CCCC3)CC2)nc1
InChIInChI=1S/C25H27ClN6O.ClH/c26-19-3-5-21(6-4-19)32-17-18-16-31(25(33)24(18)28-32)22-7-8-23(27-15-22)30-13-9-20(10-14-30)29-11-1-2-12-29;/h3-8,15,17,20H,1-2,9-14,16H2;1H
InChIKeyPXXGKRCEZZFYMW-UHFFFAOYSA-N
XLogP4.57
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-2-(4-chlorophenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46189674
N-[1-[5-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-pyridinyl]pyrrolidin-3-yl]-N-ethylacetamide
CID 46188778
5-(1-methylpyrazol-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879009
5-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-(4-chlorophenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one;2-(4-chlorophenyl)-5-[6-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;2-(4-chlorophenyl)-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;bis(2-(4-chlorophenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one);2-(4-chlorophenyl)-5-[6-[(3R)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;N-[1-[5-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-pyridinyl]pyrrolidin-3-yl]acetamide;N-[1-[5-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-pyridinyl]pyrrolidin-3-yl]-N-ethylacetamide;N-[1-[5-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide;2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;2-(4-chlorophenyl)-5-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 160698204
2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879017
5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879029
tert-butyl N-[1-[4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]phenyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 58386142
2-(4-chlorophenyl)-5-[6-[(3R)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one
CID 163677993
5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole
CID 168879068
5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837415
5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837012
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane
CID 133454485

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride (CID 46189308) is 2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride is Cl.O=C1c2nn(-c3ccc(Cl)cc3)cc2CN1c1ccc(N2CCC(N3CCCC3)CC2)nc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride?
The InChIKey is PXXGKRCEZZFYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O.ClH/c26-19-3-5-21(6-4-19)32-17-18-16-31(25(33)24(18)28-32)22-7-8-23(27-15-22)30-13-9-20(10-14-30)29-11-1-2-12-29;/h3-8,15,17,20H,1-2,9-14,16H2;1H.
What are the key properties of 2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride?
2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride has a molecular weight of 499.45 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride is sourced from PubChem (CID 46189308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).