4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide

C24H20F3N7O2 — CID 174174763

IUPAC4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1NC1CN(C(=O)c2cnn3ccncc23)C1
InChIInChI=1S/C24H20F3N7O2/c1-14-2-3-15(22(35)32-17-7-16(8-29-9-17)24(25,26)27)6-20(14)31-18-12-33(13-18)23(36)19-10-30-34-5-4-28-11-21(19)34/h2-11,18,31H,12-13H2,1H3,(H,32,35)
InChIKeyUNNVLODKXZQGDJ-UHFFFAOYSA-N
MW495.47 g/mol
LogP3.64
Rot. Bonds5

About 4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide

4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 174174763) has the molecular formula C24H20F3N7O2 and a molecular weight of 495.47 g/mol. Its IUPAC name is 4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID174174763
Molecular FormulaC24H20F3N7O2
Molecular Weight495.47 g/mol
Exact Mass495.16
IUPAC Name4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1NC1CN(C(=O)c2cnn3ccncc23)C1
InChIInChI=1S/C24H20F3N7O2/c1-14-2-3-15(22(35)32-17-7-16(8-29-9-17)24(25,26)27)6-20(14)31-18-12-33(13-18)23(36)19-10-30-34-5-4-28-11-21(19)34/h2-11,18,31H,12-13H2,1H3,(H,32,35)
InChIKeyUNNVLODKXZQGDJ-UHFFFAOYSA-N
XLogP3.64
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 167803256
4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174766
4-methyl-3-[[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174745
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-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174718
4-methyl-3-(1-pyrazolo[1,5-a]pyrimidin-3-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 170733818
6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165143305
N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide
CID 174176081
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174184894
4-methyl-3-[(3S)-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176066
N-(3-hydroxy-4-methylphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119627

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide (CID 174174763) is 4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)cc1NC1CN(C(=O)c2cnn3ccncc23)C1.
What is the InChIKey of 4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is UNNVLODKXZQGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O2/c1-14-2-3-15(22(35)32-17-7-16(8-29-9-17)24(25,26)27)6-20(14)31-18-12-33(13-18)23(36)19-10-30-34-5-4-28-11-21(19)34/h2-11,18,31H,12-13H2,1H3,(H,32,35).
What are the key properties of 4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide?
4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 495.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)azetidin-3-yl]amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 174174763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).