N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide

C17H12F6N4O — CID 46585508

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12
InChIInChI=1S/C17H12F6N4O/c1-8-13-6-12(7-24-14(13)27(2)26-8)25-15(28)9-3-10(16(18,19)20)5-11(4-9)17(21,22)23/h3-7H,1-2H3,(H,25,28)
InChIKeyOPALVTBNHBKTPL-UHFFFAOYSA-N
MW402.30 g/mol
LogP4.57
Rot. Bonds2

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 46585508) has the molecular formula C17H12F6N4O and a molecular weight of 402.30 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID46585508
Molecular FormulaC17H12F6N4O
Molecular Weight402.30 g/mol
Exact Mass402.09
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12
InChIInChI=1S/C17H12F6N4O/c1-8-13-6-12(7-24-14(13)27(2)26-8)25-15(28)9-3-10(16(18,19)20)5-11(4-9)17(21,22)23/h3-7H,1-2H3,(H,25,28)
InChIKeyOPALVTBNHBKTPL-UHFFFAOYSA-N
XLogP4.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methyl-3,5-dinitrobenzamide
CID 86917126
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-3-carboxamide
CID 31520445
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55515590
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4,5-difluorobenzamide
CID 51334457
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-2-carboxamide
CID 31520160
3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide
CID 51334534
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-ethylbutanamide
CID 79809258
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,3-dimethylbutanamide
CID 76887987
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794620
N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]formamide
CID 91092268

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide (CID 46585508) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide is Cc1nn(C)c2ncc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is OPALVTBNHBKTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N4O/c1-8-13-6-12(7-24-14(13)27(2)26-8)25-15(28)9-3-10(16(18,19)20)5-11(4-9)17(21,22)23/h3-7H,1-2H3,(H,25,28).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 402.30 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 46585508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).