N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide

C25H29F3N8O2 — CID 143962333

IUPACN-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1c(CN(C)C)cc(NC(=O)c2cnc(C)c(N3C=C(c4cnn(C)c4C)NN3)c2)cc1C(F)(F)F
InChIInChI=1S/C25H29F3N8O2/c1-14-22(36-13-21(32-33-36)19-11-30-35(5)15(19)2)8-16(10-29-14)24(37)31-18-7-17(12-34(3)4)23(38-6)20(9-18)25(26,27)28/h7-11,13,32-33H,12H2,1-6H3,(H,31,37)
InChIKeyHUFQQASIGISBQX-UHFFFAOYSA-N
MW530.56 g/mol
LogP3.60
Rot. Bonds7

About N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide

N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide (PubChem CID 143962333) has the molecular formula C25H29F3N8O2 and a molecular weight of 530.56 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide
PubChem CID143962333
Molecular FormulaC25H29F3N8O2
Molecular Weight530.56 g/mol
Exact Mass530.24
IUPAC NameN-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1c(CN(C)C)cc(NC(=O)c2cnc(C)c(N3C=C(c4cnn(C)c4C)NN3)c2)cc1C(F)(F)F
InChIInChI=1S/C25H29F3N8O2/c1-14-22(36-13-21(32-33-36)19-11-30-35(5)15(19)2)8-16(10-29-14)24(37)31-18-7-17(12-34(3)4)23(38-6)20(9-18)25(26,27)28/h7-11,13,32-33H,12H2,1-6H3,(H,31,37)
InChIKeyHUFQQASIGISBQX-UHFFFAOYSA-N
XLogP3.60
TPSA99.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.56
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-chloro-3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide
CID 143962154
N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methylpyridine-3-carboxamide
CID 58563327
5-[amino-[2-(1,5-dimethylpyrazol-4-yl)-2-iminoethyl]amino]-N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 91133110
5-[5-[1-[2-[3-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-5-[[4-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]ethyl]-5-methylpyrazol-4-yl]-1,2-dihydrotriazol-3-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 143962270
4-chloro-3-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 146847182
3-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-N-[4-fluoro-3-[methyl-[2-(methylamino)ethyl]amino]-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 71034869
5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methyl-N-[2-methyl-3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 143962289
N-[4-chloro-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-4-methylbenzamide
CID 154471068
3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[4-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58366431
5-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-6-methyl-N-[4-methyl-3-[(propan-2-ylamino)methyl]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 70903013
3-tert-butyl-5-[(dimethylamino)methyl]-N-[3-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-4-methylphenyl]benzamide
CID 71034860
3-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-N-[3-[(3-hydroxyazetidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 71035093

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide (CID 143962333) is N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide is COc1c(CN(C)C)cc(NC(=O)c2cnc(C)c(N3C=C(c4cnn(C)c4C)NN3)c2)cc1C(F)(F)F.
What is the InChIKey of N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is HUFQQASIGISBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N8O2/c1-14-22(36-13-21(32-33-36)19-11-30-35(5)15(19)2)8-16(10-29-14)24(37)31-18-7-17(12-34(3)4)23(38-6)20(9-18)25(26,27)28/h7-11,13,32-33H,12H2,1-6H3,(H,31,37).
What are the key properties of N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide?
N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 530.56 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-5-[5-(1,5-dimethylpyrazol-4-yl)-1,2-dihydrotriazol-3-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 143962333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).