N-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H18FN7 — CID 59276399

IUPACN-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCNCc1nc2ccc(-c3cccc4nc(Nc5ccc(F)cc5)nn34)cc2[nH]1
InChIInChI=1S/C21H18FN7/c1-23-12-19-25-16-10-5-13(11-17(16)26-19)18-3-2-4-20-27-21(28-29(18)20)24-15-8-6-14(22)7-9-15/h2-11,23H,12H2,1H3,(H,24,28)(H,25,26)
InChIKeyXMWLULTUBKTCMN-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.87
Rot. Bonds5

About N-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59276399) has the molecular formula C21H18FN7 and a molecular weight of 387.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59276399
Molecular FormulaC21H18FN7
Molecular Weight387.42 g/mol
Exact Mass387.16
IUPAC NameN-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCNCc1nc2ccc(-c3cccc4nc(Nc5ccc(F)cc5)nn34)cc2[nH]1
InChIInChI=1S/C21H18FN7/c1-23-12-19-25-16-10-5-13(11-17(16)26-19)18-3-2-4-20-27-21(28-29(18)20)24-15-8-6-14(22)7-9-15/h2-11,23H,12H2,1H3,(H,24,28)(H,25,26)
InChIKeyXMWLULTUBKTCMN-UHFFFAOYSA-N
XLogP3.87
TPSA82.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276419
5-[2-(chloromethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 68587338
5-(4-fluorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916172
N-(4-fluorophenyl)-5-(1H-indazol-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276650
5-[2-(1-methoxyethyl)-3H-benzimidazol-5-yl]-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276660
3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol
CID 59276672
5-(3-fluorophenyl)-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186452
5-(4-fluorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186193
N,5-bis(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186265
N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276547
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 44625185
N-(6-fluoro-3-pyridinyl)-5-(3-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916247

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59276399) is N-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CNCc1nc2ccc(-c3cccc4nc(Nc5ccc(F)cc5)nn34)cc2[nH]1.
What is the InChIKey of N-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is XMWLULTUBKTCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7/c1-23-12-19-25-16-10-5-13(11-17(16)26-19)18-3-2-4-20-27-21(28-29(18)20)24-15-8-6-14(22)7-9-15/h2-11,23H,12H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 387.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59276399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).