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

C27H27FN8 — CID 54767755

IUPAC2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline
SMILESCc1cccc(-c2[nH]c(CNc3cccc(CN4CCCC4)c3F)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C27H27FN8/c1-18-6-4-9-22(32-18)27-26(20-10-11-24-30-17-31-36(24)16-20)33-23(34-27)14-29-21-8-5-7-19(25(21)28)15-35-12-2-3-13-35/h4-11,16-17,29H,2-3,12-15H2,1H3,(H,33,34)
InChIKeyYQQSEYVOYLGOQH-UHFFFAOYSA-N
MW482.57 g/mol
LogP4.84
Rot. Bonds7

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

2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 54767755) has the molecular formula C27H27FN8 and a molecular weight of 482.57 g/mol. Its IUPAC name is 2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline
PubChem CID54767755
Molecular FormulaC27H27FN8
Molecular Weight482.57 g/mol
Exact Mass482.23
IUPAC Name2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline
SMILESCc1cccc(-c2[nH]c(CNc3cccc(CN4CCCC4)c3F)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C27H27FN8/c1-18-6-4-9-22(32-18)27-26(20-10-11-24-30-17-31-36(24)16-20)33-23(34-27)14-29-21-8-5-7-19(25(21)28)15-35-12-2-3-13-35/h4-11,16-17,29H,2-3,12-15H2,1H3,(H,33,34)
InChIKeyYQQSEYVOYLGOQH-UHFFFAOYSA-N
XLogP4.84
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of 2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline (CID 54767755) is 2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline is Cc1cccc(-c2[nH]c(CNc3cccc(CN4CCCC4)c3F)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is YQQSEYVOYLGOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN8/c1-18-6-4-9-22(32-18)27-26(20-10-11-24-30-17-31-36(24)16-20)33-23(34-27)14-29-21-8-5-7-19(25(21)28)15-35-12-2-3-13-35/h4-11,16-17,29H,2-3,12-15H2,1H3,(H,33,34).
What are the key properties of 2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline?
2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 482.57 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 54767755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).