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

C22H22N8 — CID 137394122

IUPACN-[[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
SMILESCC(C)n1ccc(-c2[nH]c(CNc3ccccc3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H22N8/c1-15(2)29-11-10-18(28-29)22-21(16-8-9-20-24-14-25-30(20)13-16)26-19(27-22)12-23-17-6-4-3-5-7-17/h3-11,13-15,23H,12H2,1-2H3,(H,26,27)
InChIKeyXEHAPCYVICJHKY-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.18
Rot. Bonds6

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

N-[[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline (PubChem CID 137394122) has the molecular formula C22H22N8 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[[5-(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
PubChem CID137394122
Molecular FormulaC22H22N8
Molecular Weight398.47 g/mol
Exact Mass398.20
IUPAC NameN-[[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
SMILESCC(C)n1ccc(-c2[nH]c(CNc3ccccc3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H22N8/c1-15(2)29-11-10-18(28-29)22-21(16-8-9-20-24-14-25-30(20)13-16)26-19(27-22)12-23-17-6-4-3-5-7-17/h3-11,13-15,23H,12H2,1-2H3,(H,26,27)
InChIKeyXEHAPCYVICJHKY-UHFFFAOYSA-N
XLogP4.18
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline (CID 137394122) is N-[[5-(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline is CC(C)n1ccc(-c2[nH]c(CNc3ccccc3)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-[[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline?
The InChIKey is XEHAPCYVICJHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8/c1-15(2)29-11-10-18(28-29)22-21(16-8-9-20-24-14-25-30(20)13-16)26-19(27-22)12-23-17-6-4-3-5-7-17/h3-11,13-15,23H,12H2,1-2H3,(H,26,27).
What are the key properties of N-[[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline?
N-[[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline has a molecular weight of 398.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 137394122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).