[3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone

C22H20Cl2N6O — CID 146457992

IUPAC[3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone
SMILESCC1c2nn(C)c(-c3cc(Cl)cc(Cl)c3)c2CCN1C(=O)c1nn(C)c2ncccc12
InChIInChI=1S/C22H20Cl2N6O/c1-12-18-16(20(28(2)26-18)13-9-14(23)11-15(24)10-13)6-8-30(12)22(31)19-17-5-4-7-25-21(17)29(3)27-19/h4-5,7,9-12H,6,8H2,1-3H3
InChIKeyDNXILFXRFCWEBY-UHFFFAOYSA-N
MW455.35 g/mol
LogP4.44
Rot. Bonds2

About [3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone

[3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone (PubChem CID 146457992) has the molecular formula C22H20Cl2N6O and a molecular weight of 455.35 g/mol. Its IUPAC name is [3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone
PubChem CID146457992
Molecular FormulaC22H20Cl2N6O
Molecular Weight455.35 g/mol
Exact Mass454.11
IUPAC Name[3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone
SMILESCC1c2nn(C)c(-c3cc(Cl)cc(Cl)c3)c2CCN1C(=O)c1nn(C)c2ncccc12
InChIInChI=1S/C22H20Cl2N6O/c1-12-18-16(20(28(2)26-18)13-9-14(23)11-15(24)10-13)6-8-30(12)22(31)19-17-5-4-7-25-21(17)29(3)27-19/h4-5,7,9-12H,6,8H2,1-3H3
InChIKeyDNXILFXRFCWEBY-UHFFFAOYSA-N
XLogP4.44
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone with MolForge

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Related Compounds

(5-chloroquinolin-6-yl)-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146457693
[(7R)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146456707
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-fluoroquinazolin-4-yl)methanone
CID 146456515
[2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-8-ylmethanone
CID 146457069
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 146457779
[(7S)-3-(3-chlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 146457838
[2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylindazol-3-yl)methanone
CID 166759976
[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-fluoroethyl)pyrrolo[2,3-b]pyridin-4-yl]methanone
CID 146457839
[(7S)-3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-(18F)fluoroethyl)pyrrolo[2,3-b]pyridin-4-yl]methanone
CID 153470315
[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 146456981
[(7S)-2,7-dimethyl-3-(3-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146457444
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methyltriazolo[1,5-b]pyridazin-2-ium-3-yl)methanone
CID 170521861

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone?
The IUPAC name of [3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone (CID 146457992) is [3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone.
What is the SMILES notation for [3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone?
The canonical SMILES for [3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone is CC1c2nn(C)c(-c3cc(Cl)cc(Cl)c3)c2CCN1C(=O)c1nn(C)c2ncccc12.
What is the InChIKey of [3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone?
The InChIKey is DNXILFXRFCWEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6O/c1-12-18-16(20(28(2)26-18)13-9-14(23)11-15(24)10-13)6-8-30(12)22(31)19-17-5-4-7-25-21(17)29(3)27-19/h4-5,7,9-12H,6,8H2,1-3H3.
What are the key properties of [3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone?
[3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone has a molecular weight of 455.35 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrazolo[5,4-b]pyridin-3-yl)methanone is sourced from PubChem (CID 146457992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).