3,5-difluoro-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

C22H20F2N8 — CID 137394125

IUPAC3,5-difluoro-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
SMILESCC(C)n1ccc(-c2[nH]c(CNc3cc(F)cc(F)c3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H20F2N8/c1-13(2)31-6-5-18(30-31)22-21(14-3-4-20-26-12-27-32(20)11-14)28-19(29-22)10-25-17-8-15(23)7-16(24)9-17/h3-9,11-13,25H,10H2,1-2H3,(H,28,29)
InChIKeyYRVQWBZFEGDCMK-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.45
Rot. Bonds6

About 3,5-difluoro-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

3,5-difluoro-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 137394125) has the molecular formula C22H20F2N8 and a molecular weight of 434.45 g/mol. Its IUPAC name is 3,5-difluoro-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 Name3,5-difluoro-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 CID137394125
Molecular FormulaC22H20F2N8
Molecular Weight434.45 g/mol
Exact Mass434.18
IUPAC Name3,5-difluoro-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
SMILESCC(C)n1ccc(-c2[nH]c(CNc3cc(F)cc(F)c3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H20F2N8/c1-13(2)31-6-5-18(30-31)22-21(14-3-4-20-26-12-27-32(20)11-14)28-19(29-22)10-25-17-8-15(23)7-16(24)9-17/h3-9,11-13,25H,10H2,1-2H3,(H,28,29)
InChIKeyYRVQWBZFEGDCMK-UHFFFAOYSA-N
XLogP4.45
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,5-difluoro-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 3,5-difluoro-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 3,5-difluoro-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 137394125) is 3,5-difluoro-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 3,5-difluoro-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 3,5-difluoro-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(CNc3cc(F)cc(F)c3)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 3,5-difluoro-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 YRVQWBZFEGDCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N8/c1-13(2)31-6-5-18(30-31)22-21(14-3-4-20-26-12-27-32(20)11-14)28-19(29-22)10-25-17-8-15(23)7-16(24)9-17/h3-9,11-13,25H,10H2,1-2H3,(H,28,29).
What are the key properties of 3,5-difluoro-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?
3,5-difluoro-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 434.45 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-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 137394125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).