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

C23H23F3N8O — CID 166035009

IUPAC[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(triazol-2-yl)phenyl]methanone
SMILESCc1cc(C(=O)N2CCc3c(nn(C)c3-c3cnn(C)c3C(F)(F)F)[C@@H]2C)cc(-n2nccn2)c1
InChIInChI=1S/C23H23F3N8O/c1-13-9-15(11-16(10-13)34-27-6-7-28-34)22(35)33-8-5-17-19(14(33)2)30-31(3)20(17)18-12-29-32(4)21(18)23(24,25)26/h6-7,9-12,14H,5,8H2,1-4H3/t14-/m0/s1
InChIKeyPAMQPTHFTZSPQB-AWEZNQCLSA-N
MW484.49 g/mol
LogP3.49
Rot. Bonds3

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

[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(triazol-2-yl)phenyl]methanone (PubChem CID 166035009) has the molecular formula C23H23F3N8O and a molecular weight of 484.49 g/mol. Its IUPAC name is [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(triazol-2-yl)phenyl]methanone
PubChem CID166035009
Molecular FormulaC23H23F3N8O
Molecular Weight484.49 g/mol
Exact Mass484.19
IUPAC Name[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(triazol-2-yl)phenyl]methanone
SMILESCc1cc(C(=O)N2CCc3c(nn(C)c3-c3cnn(C)c3C(F)(F)F)[C@@H]2C)cc(-n2nccn2)c1
InChIInChI=1S/C23H23F3N8O/c1-13-9-15(11-16(10-13)34-27-6-7-28-34)22(35)33-8-5-17-19(14(33)2)30-31(3)20(17)18-12-29-32(4)21(18)23(24,25)26/h6-7,9-12,14H,5,8H2,1-4H3/t14-/m0/s1
InChIKeyPAMQPTHFTZSPQB-AWEZNQCLSA-N
XLogP3.49
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(triazol-2-yl)phenyl]methanone (CID 166035009) is [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(triazol-2-yl)phenyl]methanone is Cc1cc(C(=O)N2CCc3c(nn(C)c3-c3cnn(C)c3C(F)(F)F)[C@@H]2C)cc(-n2nccn2)c1.
What is the InChIKey of [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(triazol-2-yl)phenyl]methanone?
The InChIKey is PAMQPTHFTZSPQB-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23F3N8O/c1-13-9-15(11-16(10-13)34-27-6-7-28-34)22(35)33-8-5-17-19(14(33)2)30-31(3)20(17)18-12-29-32(4)21(18)23(24,25)26/h6-7,9-12,14H,5,8H2,1-4H3/t14-/m0/s1.
What are the key properties of [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(triazol-2-yl)phenyl]methanone?
[(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(triazol-2-yl)phenyl]methanone has a molecular weight of 484.49 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-2,7-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 166035009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).