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

C23H21N7 — CID 54766467

IUPAC2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2[nH]c(CNc3ccccc3C)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H21N7/c1-15-6-3-4-8-18(15)24-12-20-28-22(17-10-11-21-25-14-26-30(21)13-17)23(29-20)19-9-5-7-16(2)27-19/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
InChIKeyMRKBGLMXPIGFPN-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.41
Rot. Bonds5

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

2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline (PubChem CID 54766467) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
PubChem CID54766467
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2[nH]c(CNc3ccccc3C)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H21N7/c1-15-6-3-4-8-18(15)24-12-20-28-22(17-10-11-21-25-14-26-30(21)13-17)23(29-20)19-9-5-7-16(2)27-19/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
InChIKeyMRKBGLMXPIGFPN-UHFFFAOYSA-N
XLogP4.41
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline?
The IUPAC name of 2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline (CID 54766467) is 2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline.
What is the SMILES notation for 2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline?
The canonical SMILES for 2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline is Cc1cccc(-c2[nH]c(CNc3ccccc3C)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline?
The InChIKey is MRKBGLMXPIGFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7/c1-15-6-3-4-8-18(15)24-12-20-28-22(17-10-11-21-25-14-26-30(21)13-17)23(29-20)19-9-5-7-16(2)27-19/h3-11,13-14,24H,12H2,1-2H3,(H,28,29).
What are the key properties of 2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline?
2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline has a molecular weight of 395.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 54766467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).