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

C23H18FN5S — CID 155540083

IUPAC2-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2nc(CNc3ccccc3F)[nH]c2-c2cc3cnccc3s2)n1
InChIInChI=1S/C23H18FN5S/c1-14-5-4-8-18(27-14)22-23(20-11-15-12-25-10-9-19(15)30-20)29-21(28-22)13-26-17-7-3-2-6-16(17)24/h2-12,26H,13H2,1H3,(H,28,29)
InChIKeyWZONCVUKEIUAND-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.81
Rot. Bonds5

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

2-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline (PubChem CID 155540083) has the molecular formula C23H18FN5S and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline
PubChem CID155540083
Molecular FormulaC23H18FN5S
Molecular Weight415.50 g/mol
Exact Mass415.13
IUPAC Name2-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2nc(CNc3ccccc3F)[nH]c2-c2cc3cnccc3s2)n1
InChIInChI=1S/C23H18FN5S/c1-14-5-4-8-18(27-14)22-23(20-11-15-12-25-10-9-19(15)30-20)29-21(28-22)13-26-17-7-3-2-6-16(17)24/h2-12,26H,13H2,1H3,(H,28,29)
InChIKeyWZONCVUKEIUAND-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 2-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 2-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline (CID 155540083) is 2-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 2-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 2-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline is Cc1cccc(-c2nc(CNc3ccccc3F)[nH]c2-c2cc3cnccc3s2)n1.
What is the InChIKey of 2-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline?
The InChIKey is WZONCVUKEIUAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5S/c1-14-5-4-8-18(27-14)22-23(20-11-15-12-25-10-9-19(15)30-20)29-21(28-22)13-26-17-7-3-2-6-16(17)24/h2-12,26H,13H2,1H3,(H,28,29).
What are the key properties of 2-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline?
2-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 2-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 155540083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).