N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide

C17H13F3N6O — CID 138808486

IUPACN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCn1c(CNC(=O)c2ccc3cn[nH]c3n2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H13F3N6O/c1-26-13-5-3-10(17(18,19)20)6-12(13)23-14(26)8-21-16(27)11-4-2-9-7-22-25-15(9)24-11/h2-7H,8H2,1H3,(H,21,27)(H,22,24,25)
InChIKeyTZMVYMWRBLVTQG-UHFFFAOYSA-N
MW374.33 g/mol
LogP2.79
Rot. Bonds3

About N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide

N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 138808486) has the molecular formula C17H13F3N6O and a molecular weight of 374.33 g/mol. Its IUPAC name is N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID138808486
Molecular FormulaC17H13F3N6O
Molecular Weight374.33 g/mol
Exact Mass374.11
IUPAC NameN-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCn1c(CNC(=O)c2ccc3cn[nH]c3n2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H13F3N6O/c1-26-13-5-3-10(17(18,19)20)6-12(13)23-14(26)8-21-16(27)11-4-2-9-7-22-25-15(9)24-11/h2-7H,8H2,1H3,(H,21,27)(H,22,24,25)
InChIKeyTZMVYMWRBLVTQG-UHFFFAOYSA-N
XLogP2.79
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70788556
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]oxolane-3-carboxamide
CID 118778674
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide
CID 118775554
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
CID 80711654
cis-(1R,3S)-3-amino-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclohexane-1-carboxamide
CID 118782599
2-[(dimethylsulfamoylamino)methyl]-1-methyl-5-(trifluoromethyl)benzimidazole
CID 131948620
(3R)-1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97151495
3-[3-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]phenyl]propanoic acid
CID 122044144
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310390
N-[2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethyl]cyclopropanamine
CID 81455530
4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine
CID 99577205
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 84617334

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide (CID 138808486) is N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide is Cn1c(CNC(=O)c2ccc3cn[nH]c3n2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is TZMVYMWRBLVTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O/c1-26-13-5-3-10(17(18,19)20)6-12(13)23-14(26)8-21-16(27)11-4-2-9-7-22-25-15(9)24-11/h2-7H,8H2,1H3,(H,21,27)(H,22,24,25).
What are the key properties of N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 374.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 138808486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).