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

C20H18F3N7OS — CID 166035004

IUPAC[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-([1,3]thiazolo[4,5-b]pyridin-6-yl)methanone
SMILESC[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cnc2ncsc2c1
InChIInChI=1S/C20H18F3N7OS/c1-10-16-12(17(29(3)27-16)13-7-15(20(21,22)23)26-28(13)2)4-5-30(10)19(31)11-6-14-18(24-8-11)25-9-32-14/h6-10H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyWWFFHYSIXPFDNV-JTQLQIEISA-N
MW461.47 g/mol
LogP3.60
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]-([1,3]thiazolo[4,5-b]pyridin-6-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]-([1,3]thiazolo[4,5-b]pyridin-6-yl)methanone (PubChem CID 166035004) has the molecular formula C20H18F3N7OS and a molecular weight of 461.47 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]-([1,3]thiazolo[4,5-b]pyridin-6-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]-([1,3]thiazolo[4,5-b]pyridin-6-yl)methanone
PubChem CID166035004
Molecular FormulaC20H18F3N7OS
Molecular Weight461.47 g/mol
Exact Mass461.12
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]-([1,3]thiazolo[4,5-b]pyridin-6-yl)methanone
SMILESC[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cnc2ncsc2c1
InChIInChI=1S/C20H18F3N7OS/c1-10-16-12(17(29(3)27-16)13-7-15(20(21,22)23)26-28(13)2)4-5-30(10)19(31)11-6-14-18(24-8-11)25-9-32-14/h6-10H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyWWFFHYSIXPFDNV-JTQLQIEISA-N
XLogP3.60
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-([1,3]thiazolo[4,5-b]pyridin-6-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]-([1,3]thiazolo[4,5-b]pyridin-6-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]-([1,3]thiazolo[4,5-b]pyridin-6-yl)methanone (CID 166035004) is [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-([1,3]thiazolo[4,5-b]pyridin-6-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]-([1,3]thiazolo[4,5-b]pyridin-6-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]-([1,3]thiazolo[4,5-b]pyridin-6-yl)methanone is C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cnc2ncsc2c1.
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]-([1,3]thiazolo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is WWFFHYSIXPFDNV-JTQLQIEISA-N. The full InChI is InChI=1S/C20H18F3N7OS/c1-10-16-12(17(29(3)27-16)13-7-15(20(21,22)23)26-28(13)2)4-5-30(10)19(31)11-6-14-18(24-8-11)25-9-32-14/h6-10H,4-5H2,1-3H3/t10-/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]-([1,3]thiazolo[4,5-b]pyridin-6-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]-([1,3]thiazolo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 461.47 g/mol, XLogP of 3.60, 2 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-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-([1,3]thiazolo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 166035004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).