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

C21H19F4N7O — CID 156863514

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-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESC[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cnn2cccc(F)c12
InChIInChI=1S/C21H19F4N7O/c1-11-17-12(19(30(3)28-17)15-9-16(21(23,24)25)27-29(15)2)6-8-31(11)20(33)13-10-26-32-7-4-5-14(22)18(13)32/h4-5,7,9-11H,6,8H2,1-3H3/t11-/m0/s1
InChIKeyIQFMPPDSXSNKAZ-NSHDSACASA-N
MW461.42 g/mol
LogP3.39
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-fluoropyrazolo[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-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 156863514) has the molecular formula C21H19F4N7O and a molecular weight of 461.42 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-fluoropyrazolo[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-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID156863514
Molecular FormulaC21H19F4N7O
Molecular Weight461.42 g/mol
Exact Mass461.16
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-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESC[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cnn2cccc(F)c12
InChIInChI=1S/C21H19F4N7O/c1-11-17-12(19(30(3)28-17)15-9-16(21(23,24)25)27-29(15)2)6-8-31(11)20(33)13-10-26-32-7-4-5-14(22)18(13)32/h4-5,7,9-11H,6,8H2,1-3H3/t11-/m0/s1
InChIKeyIQFMPPDSXSNKAZ-NSHDSACASA-N
XLogP3.39
TPSA73.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 53.39
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-fluoropyrazolo[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-fluoropyrazolo[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-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone (CID 156863514) 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-fluoropyrazolo[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-fluoropyrazolo[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-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone is C[C@H]1c2nn(C)c(-c3cc(C(F)(F)F)nn3C)c2CCN1C(=O)c1cnn2cccc(F)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-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is IQFMPPDSXSNKAZ-NSHDSACASA-N. The full InChI is InChI=1S/C21H19F4N7O/c1-11-17-12(19(30(3)28-17)15-9-16(21(23,24)25)27-29(15)2)6-8-31(11)20(33)13-10-26-32-7-4-5-14(22)18(13)32/h4-5,7,9-11H,6,8H2,1-3H3/t11-/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-fluoropyrazolo[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-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 461.42 g/mol, XLogP of 3.39, 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-fluoropyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 156863514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).