N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide

C17H15F3N4O — CID 99715700

IUPACN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide
SMILESCc1[nH]nc2ncc(NC(=O)c3ccc(CCC(F)(F)F)cc3)cc12
InChIInChI=1S/C17H15F3N4O/c1-10-14-8-13(9-21-15(14)24-23-10)22-16(25)12-4-2-11(3-5-12)6-7-17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyMPZXEQREQZNHPQ-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.01
Rot. Bonds4

About N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide (PubChem CID 99715700) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide
PubChem CID99715700
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide
SMILESCc1[nH]nc2ncc(NC(=O)c3ccc(CCC(F)(F)F)cc3)cc12
InChIInChI=1S/C17H15F3N4O/c1-10-14-8-13(9-21-15(14)24-23-10)22-16(25)12-4-2-11(3-5-12)6-7-17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyMPZXEQREQZNHPQ-UHFFFAOYSA-N
XLogP4.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 86843520
3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 86843489
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
CID 86843550
4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90241214
3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide
CID 86843240
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 86843296
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86843305
N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 86843430
3-(3-bromo-4-methoxyphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 86843450
2-methyl-2-[4-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120697314
5-chloro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 86843309
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 139010453

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide (CID 99715700) is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide is Cc1[nH]nc2ncc(NC(=O)c3ccc(CCC(F)(F)F)cc3)cc12.
What is the InChIKey of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is MPZXEQREQZNHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-10-14-8-13(9-21-15(14)24-23-10)22-16(25)12-4-2-11(3-5-12)6-7-17(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide?
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 348.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 99715700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).