[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone

C22H22F3N7O — CID 166034968

IUPAC[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCc1cccn2ncc(C(=O)N3CCc4c(nn(C)c4-c4cc(C(F)(F)F)nn4C)[C@@H]3C)c12
InChIInChI=1S/C22H22F3N7O/c1-12-6-5-8-32-19(12)15(11-26-32)21(33)31-9-7-14-18(13(31)2)28-30(4)20(14)16-10-17(22(23,24)25)27-29(16)3/h5-6,8,10-11,13H,7,9H2,1-4H3/t13-/m0/s1
InChIKeyFPCBRIYLKIVENM-ZDUSSCGKSA-N
MW457.46 g/mol
LogP3.56
Rot. Bonds2

About [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone

[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 166034968) has the molecular formula C22H22F3N7O and a molecular weight of 457.46 g/mol. Its IUPAC name is [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID166034968
Molecular FormulaC22H22F3N7O
Molecular Weight457.46 g/mol
Exact Mass457.18
IUPAC Name[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCc1cccn2ncc(C(=O)N3CCc4c(nn(C)c4-c4cc(C(F)(F)F)nn4C)[C@@H]3C)c12
InChIInChI=1S/C22H22F3N7O/c1-12-6-5-8-32-19(12)15(11-26-32)21(33)31-9-7-14-18(13(31)2)28-30(4)20(14)16-10-17(22(23,24)25)27-29(16)3/h5-6,8,10-11,13H,7,9H2,1-4H3/t13-/m0/s1
InChIKeyFPCBRIYLKIVENM-ZDUSSCGKSA-N
XLogP3.56
TPSA73.25 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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone (CID 166034968) is [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone is Cc1cccn2ncc(C(=O)N3CCc4c(nn(C)c4-c4cc(C(F)(F)F)nn4C)[C@@H]3C)c12.
What is the InChIKey of [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is FPCBRIYLKIVENM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H22F3N7O/c1-12-6-5-8-32-19(12)15(11-26-32)21(33)31-9-7-14-18(13(31)2)28-30(4)20(14)16-10-17(22(23,24)25)27-29(16)3/h5-6,8,10-11,13H,7,9H2,1-4H3/t13-/m0/s1.
What are the key properties of [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 457.46 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 166034968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).