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

C25H25F3N6O2 — CID 156863467

IUPAC[(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone
SMILESCOc1ccc2nc(C)cc(C(=O)N3CCc4c(nn(C)c4-c4cc(C(F)(F)F)nn4C)[C@@H]3C)c2c1
InChIInChI=1S/C25H25F3N6O2/c1-13-10-18(17-11-15(36-5)6-7-19(17)29-13)24(35)34-9-8-16-22(14(34)2)31-33(4)23(16)20-12-21(25(26,27)28)30-32(20)3/h6-7,10-12,14H,8-9H2,1-5H3/t14-/m0/s1
InChIKeyKFTWZHIHNIQHIK-AWEZNQCLSA-N
MW498.51 g/mol
LogP4.46
Rot. Bonds3

About [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxy-2-methylquinolin-4-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]-(6-methoxy-2-methylquinolin-4-yl)methanone (PubChem CID 156863467) has the molecular formula C25H25F3N6O2 and a molecular weight of 498.51 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]-(6-methoxy-2-methylquinolin-4-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]-(6-methoxy-2-methylquinolin-4-yl)methanone
PubChem CID156863467
Molecular FormulaC25H25F3N6O2
Molecular Weight498.51 g/mol
Exact Mass498.20
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]-(6-methoxy-2-methylquinolin-4-yl)methanone
SMILESCOc1ccc2nc(C)cc(C(=O)N3CCc4c(nn(C)c4-c4cc(C(F)(F)F)nn4C)[C@@H]3C)c2c1
InChIInChI=1S/C25H25F3N6O2/c1-13-10-18(17-11-15(36-5)6-7-19(17)29-13)24(35)34-9-8-16-22(14(34)2)31-33(4)23(16)20-12-21(25(26,27)28)30-32(20)3/h6-7,10-12,14H,8-9H2,1-5H3/t14-/m0/s1
InChIKeyKFTWZHIHNIQHIK-AWEZNQCLSA-N
XLogP4.46
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 54.46
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]-(6-methoxy-2-methylquinolin-4-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]-(6-methoxy-2-methylquinolin-4-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]-(6-methoxy-2-methylquinolin-4-yl)methanone (CID 156863467) is [(7S)-2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxy-2-methylquinolin-4-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]-(6-methoxy-2-methylquinolin-4-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]-(6-methoxy-2-methylquinolin-4-yl)methanone is COc1ccc2nc(C)cc(C(=O)N3CCc4c(nn(C)c4-c4cc(C(F)(F)F)nn4C)[C@@H]3C)c2c1.
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]-(6-methoxy-2-methylquinolin-4-yl)methanone?
The InChIKey is KFTWZHIHNIQHIK-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H25F3N6O2/c1-13-10-18(17-11-15(36-5)6-7-19(17)29-13)24(35)34-9-8-16-22(14(34)2)31-33(4)23(16)20-12-21(25(26,27)28)30-32(20)3/h6-7,10-12,14H,8-9H2,1-5H3/t14-/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]-(6-methoxy-2-methylquinolin-4-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]-(6-methoxy-2-methylquinolin-4-yl)methanone has a molecular weight of 498.51 g/mol, XLogP of 4.46, 3 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]-(6-methoxy-2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 156863467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).