N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline

C20H18N8 — CID 137394466

IUPACN-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
SMILESCn1ccc(-c2[nH]c(CNc3ccccc3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C20H18N8/c1-27-10-9-16(26-27)20-19(14-7-8-18-22-13-23-28(18)12-14)24-17(25-20)11-21-15-5-3-2-4-6-15/h2-10,12-13,21H,11H2,1H3,(H,24,25)
InChIKeyLNUKEBIBBCTBFQ-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.13
Rot. Bonds5

About N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline

N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline (PubChem CID 137394466) has the molecular formula C20H18N8 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
PubChem CID137394466
Molecular FormulaC20H18N8
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
SMILESCn1ccc(-c2[nH]c(CNc3ccccc3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C20H18N8/c1-27-10-9-16(26-27)20-19(14-7-8-18-22-13-23-28(18)12-14)24-17(25-20)11-21-15-5-3-2-4-6-15/h2-10,12-13,21H,11H2,1H3,(H,24,25)
InChIKeyLNUKEBIBBCTBFQ-UHFFFAOYSA-N
XLogP3.13
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline?
The IUPAC name of N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline (CID 137394466) is N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline.
What is the SMILES notation for N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline?
The canonical SMILES for N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline is Cn1ccc(-c2[nH]c(CNc3ccccc3)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline?
The InChIKey is LNUKEBIBBCTBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8/c1-27-10-9-16(26-27)20-19(14-7-8-18-22-13-23-28(18)12-14)24-17(25-20)11-21-15-5-3-2-4-6-15/h2-10,12-13,21H,11H2,1H3,(H,24,25).
What are the key properties of N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline?
N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline has a molecular weight of 370.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 137394466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).