7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine

C21H16FN7S — CID 145248787

IUPAC7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine
SMILESC=c1c(-c2nc3c(-c4ccc(F)s4)cncc3[nH]2)n[nH]/c1=C/C=C(\C)c1cn[nH]c1
InChIInChI=1S/C21H16FN7S/c1-11(13-7-24-25-8-13)3-4-15-12(2)19(29-28-15)21-26-16-10-23-9-14(20(16)27-21)17-5-6-18(22)30-17/h3-10,28H,2H2,1H3,(H,24,25)(H,26,27)/b11-3+,15-4+
InChIKeyLWWZWRBYOBBDCA-WLKBOVPDSA-N
MW417.47 g/mol
LogP3.23
Rot. Bonds4

About 7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine

7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine (PubChem CID 145248787) has the molecular formula C21H16FN7S and a molecular weight of 417.47 g/mol. Its IUPAC name is 7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine
PubChem CID145248787
Molecular FormulaC21H16FN7S
Molecular Weight417.47 g/mol
Exact Mass417.12
IUPAC Name7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine
SMILESC=c1c(-c2nc3c(-c4ccc(F)s4)cncc3[nH]2)n[nH]/c1=C/C=C(\C)c1cn[nH]c1
InChIInChI=1S/C21H16FN7S/c1-11(13-7-24-25-8-13)3-4-15-12(2)19(29-28-15)21-26-16-10-23-9-14(20(16)27-21)17-5-6-18(22)30-17/h3-10,28H,2H2,1H3,(H,24,25)(H,26,27)/b11-3+,15-4+
InChIKeyLWWZWRBYOBBDCA-WLKBOVPDSA-N
XLogP3.23
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine (CID 145248787) is 7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine is C=c1c(-c2nc3c(-c4ccc(F)s4)cncc3[nH]2)n[nH]/c1=C/C=C(\C)c1cn[nH]c1.
What is the InChIKey of 7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is LWWZWRBYOBBDCA-WLKBOVPDSA-N. The full InChI is InChI=1S/C21H16FN7S/c1-11(13-7-24-25-8-13)3-4-15-12(2)19(29-28-15)21-26-16-10-23-9-14(20(16)27-21)17-5-6-18(22)30-17/h3-10,28H,2H2,1H3,(H,24,25)(H,26,27)/b11-3+,15-4+.
What are the key properties of 7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine?
7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 417.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluorothiophen-2-yl)-2-[(5E)-4-methylidene-5-[(E)-3-(1H-pyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145248787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).