4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide

C24H21F3N6O — CID 174174766

IUPAC4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1CC1CN(c2cnn3ccncc23)C1
InChIInChI=1S/C24H21F3N6O/c1-15-2-3-17(23(34)31-20-8-19(9-29-10-20)24(25,26)27)7-18(15)6-16-13-32(14-16)21-12-30-33-5-4-28-11-22(21)33/h2-5,7-12,16H,6,13-14H2,1H3,(H,31,34)
InChIKeyOWPGGEJWTQTUEB-UHFFFAOYSA-N
MW466.47 g/mol
LogP4.38
Rot. Bonds5

About 4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide

4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 174174766) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID174174766
Molecular FormulaC24H21F3N6O
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1CC1CN(c2cnn3ccncc23)C1
InChIInChI=1S/C24H21F3N6O/c1-15-2-3-17(23(34)31-20-8-19(9-29-10-20)24(25,26)27)7-18(15)6-16-13-32(14-16)21-12-30-33-5-4-28-11-22(21)33/h2-5,7-12,16H,6,13-14H2,1H3,(H,31,34)
InChIKeyOWPGGEJWTQTUEB-UHFFFAOYSA-N
XLogP4.38
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174761
4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174763
4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 170733818
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 167803256
4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174718
N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide
CID 174176081
4-methyl-3-[(3S)-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176066
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174184894
N-[4-(difluoromethoxy)-2-pyridinyl]-4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]benzamide
CID 174174742
4-methyl-3-[(3S)-1-[3-(methylamino)pyrazin-2-yl]pyrrolidin-3-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176009
tert-butyl 3-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 171744116
3-[1-[5-(difluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174175974

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide (CID 174174766) is 4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1CC1CN(c2cnn3ccncc23)C1.
What is the InChIKey of 4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is OWPGGEJWTQTUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O/c1-15-2-3-17(23(34)31-20-8-19(9-29-10-20)24(25,26)27)7-18(15)6-16-13-32(14-16)21-12-30-33-5-4-28-11-22(21)33/h2-5,7-12,16H,6,13-14H2,1H3,(H,31,34).
What are the key properties of 4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 466.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 174174766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).