[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone

C22H18ClN5O — CID 146516213

IUPAC[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
SMILESCn1nc2c(c1-c1cccc(Cl)c1)CCN(C(=O)c1ccc3nccnc3c1)C2
InChIInChI=1S/C22H18ClN5O/c1-27-21(14-3-2-4-16(23)11-14)17-7-10-28(13-20(17)26-27)22(29)15-5-6-18-19(12-15)25-9-8-24-18/h2-6,8-9,11-12H,7,10,13H2,1H3
InChIKeyHXRNPCHESGDJDA-UHFFFAOYSA-N
MW403.87 g/mol
LogP3.88
Rot. Bonds2

About [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone

[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone (PubChem CID 146516213) has the molecular formula C22H18ClN5O and a molecular weight of 403.87 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
PubChem CID146516213
Molecular FormulaC22H18ClN5O
Molecular Weight403.87 g/mol
Exact Mass403.12
IUPAC Name[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
SMILESCn1nc2c(c1-c1cccc(Cl)c1)CCN(C(=O)c1ccc3nccnc3c1)C2
InChIInChI=1S/C22H18ClN5O/c1-27-21(14-3-2-4-16(23)11-14)17-7-10-28(13-20(17)26-27)22(29)15-5-6-18-19(12-15)25-9-8-24-18/h2-6,8-9,11-12H,7,10,13H2,1H3
InChIKeyHXRNPCHESGDJDA-UHFFFAOYSA-N
XLogP3.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone
CID 146515571
[3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 146515465
[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 146515843
[3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146515581
[3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146515765
(2-chloro-6-methoxyphenyl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457251
(3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 118893952
[3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146516310
[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone
CID 146515480
(3-methylimidazo[1,5-a]pyridin-6-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515616
(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone
CID 146457223
[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone
CID 146515445

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone (CID 146516213) is [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone is Cn1nc2c(c1-c1cccc(Cl)c1)CCN(C(=O)c1ccc3nccnc3c1)C2.
What is the InChIKey of [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
The InChIKey is HXRNPCHESGDJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O/c1-27-21(14-3-2-4-16(23)11-14)17-7-10-28(13-20(17)26-27)22(29)15-5-6-18-19(12-15)25-9-8-24-18/h2-6,8-9,11-12H,7,10,13H2,1H3.
What are the key properties of [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone has a molecular weight of 403.87 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 146516213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).