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

C21H18F5N7O — CID 166034962

IUPAC(4,6-difluoropyrazolo[1,5-a]pyridin-3-yl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
SMILESC[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cnn2cc(F)cc(F)c12
InChIInChI=1S/C21H18F5N7O/c1-10-17-12(19(31(3)29-17)15-7-16(21(24,25)26)28-30(15)2)4-5-32(10)20(34)13-8-27-33-9-11(22)6-14(23)18(13)33/h6-10H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyJJGLCVPUGYSIDJ-JTQLQIEISA-N
MW479.41 g/mol
LogP3.52
Rot. Bonds2

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

(4,6-difluoropyrazolo[1,5-a]pyridin-3-yl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (PubChem CID 166034962) has the molecular formula C21H18F5N7O and a molecular weight of 479.41 g/mol. Its IUPAC name is (4,6-difluoropyrazolo[1,5-a]pyridin-3-yl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(4,6-difluoropyrazolo[1,5-a]pyridin-3-yl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
PubChem CID166034962
Molecular FormulaC21H18F5N7O
Molecular Weight479.41 g/mol
Exact Mass479.15
IUPAC Name(4,6-difluoropyrazolo[1,5-a]pyridin-3-yl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
SMILESC[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cnn2cc(F)cc(F)c12
InChIInChI=1S/C21H18F5N7O/c1-10-17-12(19(31(3)29-17)15-7-16(21(24,25)26)28-30(15)2)4-5-32(10)20(34)13-8-27-33-9-11(22)6-14(23)18(13)33/h6-10H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyJJGLCVPUGYSIDJ-JTQLQIEISA-N
XLogP3.52
TPSA73.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (4,6-difluoropyrazolo[1,5-a]pyridin-3-yl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The IUPAC name of (4,6-difluoropyrazolo[1,5-a]pyridin-3-yl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (CID 166034962) is (4,6-difluoropyrazolo[1,5-a]pyridin-3-yl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for (4,6-difluoropyrazolo[1,5-a]pyridin-3-yl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The canonical SMILES for (4,6-difluoropyrazolo[1,5-a]pyridin-3-yl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cnn2cc(F)cc(F)c12.
What is the InChIKey of (4,6-difluoropyrazolo[1,5-a]pyridin-3-yl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The InChIKey is JJGLCVPUGYSIDJ-JTQLQIEISA-N. The full InChI is InChI=1S/C21H18F5N7O/c1-10-17-12(19(31(3)29-17)15-7-16(21(24,25)26)28-30(15)2)4-5-32(10)20(34)13-8-27-33-9-11(22)6-14(23)18(13)33/h6-10H,4-5H2,1-3H3/t10-/m0/s1.
What are the key properties of (4,6-difluoropyrazolo[1,5-a]pyridin-3-yl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
(4,6-difluoropyrazolo[1,5-a]pyridin-3-yl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone has a molecular weight of 479.41 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-difluoropyrazolo[1,5-a]pyridin-3-yl)-[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 166034962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).