2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine

C25H21N7S — CID 145034360

IUPAC2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
SMILESC=C(C)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnc(C)n6C)cc45)nc23)s1
InChIInChI=1S/C25H21N7S/c1-13(2)20-7-8-21(33-20)24-23-18(9-10-26-24)28-25(29-23)22-16-11-15(5-6-17(16)30-31-22)19-12-27-14(3)32(19)4/h5-12H,1H2,2-4H3,(H,28,29)(H,30,31)
InChIKeyKWVQULQABCHAGM-UHFFFAOYSA-N
MW451.56 g/mol
LogP5.97
Rot. Bonds4

About 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine

2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 145034360) has the molecular formula C25H21N7S and a molecular weight of 451.56 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID145034360
Molecular FormulaC25H21N7S
Molecular Weight451.56 g/mol
Exact Mass451.16
IUPAC Name2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
SMILESC=C(C)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnc(C)n6C)cc45)nc23)s1
InChIInChI=1S/C25H21N7S/c1-13(2)20-7-8-21(33-20)24-23-18(9-10-26-24)28-25(29-23)22-16-11-15(5-6-17(16)30-31-22)19-12-27-14(3)32(19)4/h5-12H,1H2,2-4H3,(H,28,29)(H,30,31)
InChIKeyKWVQULQABCHAGM-UHFFFAOYSA-N
XLogP5.97
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145248459
2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 145035738
4-(5-methylthiophen-2-yl)-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136935471
5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 136936978
4-(5-methylthiophen-2-yl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136936980
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 137283181
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
CID 136937844
N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145034544
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136935487
4-(5-fluorothiophen-2-yl)-2-[5-(6-methoxypyrazin-2-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 137255076
N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136935463
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridine
CID 137088353

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine (CID 145034360) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine is C=C(C)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnc(C)n6C)cc45)nc23)s1.
What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is KWVQULQABCHAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7S/c1-13(2)20-7-8-21(33-20)24-23-18(9-10-26-24)28-25(29-23)22-16-11-15(5-6-17(16)30-31-22)19-12-27-14(3)32(19)4/h5-12H,1H2,2-4H3,(H,28,29)(H,30,31).
What are the key properties of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine?
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 451.56 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145034360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).