[(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone

C25H23F3N6O — CID 170965321

IUPAC[(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESC[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)CCN1C(=O)c1c(-c2ccccn2)nn2ccccc12
InChIInChI=1S/C25H23F3N6O/c1-17-10-13-32(21-9-8-18(16-30-21)25(26,27)28)14-15-33(17)24(35)22-20-7-3-5-12-34(20)31-23(22)19-6-2-4-11-29-19/h2-9,11-12,16-17H,10,13-15H2,1H3/t17-/m1/s1
InChIKeyQOWAOLOSDWMCKH-QGZVFWFLSA-N
MW480.49 g/mol
LogP4.55
Rot. Bonds3

About [(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone

[(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 170965321) has the molecular formula C25H23F3N6O and a molecular weight of 480.49 g/mol. Its IUPAC name is [(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID170965321
Molecular FormulaC25H23F3N6O
Molecular Weight480.49 g/mol
Exact Mass480.19
IUPAC Name[(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESC[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)CCN1C(=O)c1c(-c2ccccn2)nn2ccccc12
InChIInChI=1S/C25H23F3N6O/c1-17-10-13-32(21-9-8-18(16-30-21)25(26,27)28)14-15-33(17)24(35)22-20-7-3-5-12-34(20)31-23(22)19-6-2-4-11-29-19/h2-9,11-12,16-17H,10,13-15H2,1H3/t17-/m1/s1
InChIKeyQOWAOLOSDWMCKH-QGZVFWFLSA-N
XLogP4.55
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone with MolForge

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Related Compounds

(E)-3-amino-3-(2-fluorophenyl)-1-[7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-2-pyridin-2-ylprop-2-en-1-one
CID 170965307
[(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone
CID 170965323
(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
CID 155383470
(Z)-2-amino-3-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1-[(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-3-phenylprop-2-en-1-one
CID 170965231
[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-pyrimidin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170977522
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
3,4-dihydro-1H-isoquinolin-2-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 35811782
5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55721497
4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1,2-dicarboxylic acid
CID 90744981
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
2-pyrazol-1-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142764

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone (CID 170965321) is [(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone is C[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)CCN1C(=O)c1c(-c2ccccn2)nn2ccccc12.
What is the InChIKey of [(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is QOWAOLOSDWMCKH-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23F3N6O/c1-17-10-13-32(21-9-8-18(16-30-21)25(26,27)28)14-15-33(17)24(35)22-20-7-3-5-12-34(20)31-23(22)19-6-2-4-11-29-19/h2-9,11-12,16-17H,10,13-15H2,1H3/t17-/m1/s1.
What are the key properties of [(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone?
[(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 480.49 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 170965321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).