[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

C22H22F3N7O — CID 166759976

IUPAC[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
SMILESCC1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C22H22F3N7O/c1-12-18-14(20(31(4)27-18)16-11-17(22(23,24)25)26-30(16)3)9-10-32(12)21(33)19-13-7-5-6-8-15(13)29(2)28-19/h5-8,11-12H,9-10H2,1-4H3
InChIKeyCRUSUCVOHQTPKK-UHFFFAOYSA-N
MW457.46 g/mol
LogP3.49
Rot. Bonds2

About [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

[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 (PubChem CID 166759976) has the molecular formula C22H22F3N7O and a molecular weight of 457.46 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID166759976
Molecular FormulaC22H22F3N7O
Molecular Weight457.46 g/mol
Exact Mass457.18
IUPAC Name[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
SMILESCC1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C22H22F3N7O/c1-12-18-14(20(31(4)27-18)16-11-17(22(23,24)25)26-30(16)3)9-10-32(12)21(33)19-13-7-5-6-8-15(13)29(2)28-19/h5-8,11-12H,9-10H2,1-4H3
InChIKeyCRUSUCVOHQTPKK-UHFFFAOYSA-N
XLogP3.49
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of [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?
The InChIKey is CRUSUCVOHQTPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7O/c1-12-18-14(20(31(4)27-18)16-11-17(22(23,24)25)26-30(16)3)9-10-32(12)21(33)19-13-7-5-6-8-15(13)29(2)28-19/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of [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?
[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 has a molecular weight of 457.46 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 166759976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).