2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide

C23H20N8O — CID 54767249

IUPAC2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide
SMILESCc1cccc(-c2[nH]c(CNc3ccccc3C(N)=O)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H20N8O/c1-14-5-4-8-18(28-14)22-21(15-9-10-20-26-13-27-31(20)12-15)29-19(30-22)11-25-17-7-3-2-6-16(17)23(24)32/h2-10,12-13,25H,11H2,1H3,(H2,24,32)(H,29,30)
InChIKeyMRFQOICMCDPFOH-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.20
Rot. Bonds6

About 2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide

2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide (PubChem CID 54767249) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide.

Molecular Properties

Compound Name2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide
PubChem CID54767249
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide
SMILESCc1cccc(-c2[nH]c(CNc3ccccc3C(N)=O)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H20N8O/c1-14-5-4-8-18(28-14)22-21(15-9-10-20-26-13-27-31(20)12-15)29-19(30-22)11-25-17-7-3-2-6-16(17)23(24)32/h2-10,12-13,25H,11H2,1H3,(H2,24,32)(H,29,30)
InChIKeyMRFQOICMCDPFOH-UHFFFAOYSA-N
XLogP3.20
TPSA126.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide?
The IUPAC name of 2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide (CID 54767249) is 2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide.
What is the SMILES notation for 2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide?
The canonical SMILES for 2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide is Cc1cccc(-c2[nH]c(CNc3ccccc3C(N)=O)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide?
The InChIKey is MRFQOICMCDPFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c1-14-5-4-8-18(28-14)22-21(15-9-10-20-26-13-27-31(20)12-15)29-19(30-22)11-25-17-7-3-2-6-16(17)23(24)32/h2-10,12-13,25H,11H2,1H3,(H2,24,32)(H,29,30).
What are the key properties of 2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide?
2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide has a molecular weight of 424.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide is sourced from PubChem (CID 54767249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).