3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline

C23H18FN5S — CID 155551790

IUPAC3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2nc(CNc3cccc(F)c3)[nH]c2-c2cc3cnccc3s2)n1
InChIInChI=1S/C23H18FN5S/c1-14-4-2-7-18(27-14)22-23(20-10-15-12-25-9-8-19(15)30-20)29-21(28-22)13-26-17-6-3-5-16(24)11-17/h2-12,26H,13H2,1H3,(H,28,29)
InChIKeyZPERNEQHFJSVSR-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.81
Rot. Bonds5

About 3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline

3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline (PubChem CID 155551790) has the molecular formula C23H18FN5S and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline
PubChem CID155551790
Molecular FormulaC23H18FN5S
Molecular Weight415.50 g/mol
Exact Mass415.13
IUPAC Name3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2nc(CNc3cccc(F)c3)[nH]c2-c2cc3cnccc3s2)n1
InChIInChI=1S/C23H18FN5S/c1-14-4-2-7-18(27-14)22-23(20-10-15-12-25-9-8-19(15)30-20)29-21(28-22)13-26-17-6-3-5-16(24)11-17/h2-12,26H,13H2,1H3,(H,28,29)
InChIKeyZPERNEQHFJSVSR-UHFFFAOYSA-N
XLogP5.81
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline?
The IUPAC name of 3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline (CID 155551790) is 3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline?
The canonical SMILES for 3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline is Cc1cccc(-c2nc(CNc3cccc(F)c3)[nH]c2-c2cc3cnccc3s2)n1.
What is the InChIKey of 3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline?
The InChIKey is ZPERNEQHFJSVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5S/c1-14-4-2-7-18(27-14)22-23(20-10-15-12-25-9-8-19(15)30-20)29-21(28-22)13-26-17-6-3-5-16(24)11-17/h2-12,26H,13H2,1H3,(H,28,29).
What are the key properties of 3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline?
3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline has a molecular weight of 415.50 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 155551790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).