N-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

C21H14F3N7O3S — CID 155843446

IUPACN-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cccnc1)c1nc(-c2cn(-c3nccs3)cn2)n2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C19H13N7OS.C2HF3O2/c27-18(23-13-4-3-6-20-10-13)16-15-5-1-2-8-26(15)17(24-16)14-11-25(12-22-14)19-21-7-9-28-19;3-2(4,5)1(6)7/h1-12H,(H,23,27);(H,6,7)
InChIKeyIIKFCCHSDGBKIN-UHFFFAOYSA-N
MW501.45 g/mol
LogP3.92
Rot. Bonds4

About N-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid

N-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155843446) has the molecular formula C21H14F3N7O3S and a molecular weight of 501.45 g/mol. Its IUPAC name is N-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155843446
Molecular FormulaC21H14F3N7O3S
Molecular Weight501.45 g/mol
Exact Mass501.08
IUPAC NameN-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cccnc1)c1nc(-c2cn(-c3nccs3)cn2)n2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C19H13N7OS.C2HF3O2/c27-18(23-13-4-3-6-20-10-13)16-15-5-1-2-8-26(15)17(24-16)14-11-25(12-22-14)19-21-7-9-28-19;3-2(4,5)1(6)7/h1-12H,(H,23,27);(H,6,7)
InChIKeyIIKFCCHSDGBKIN-UHFFFAOYSA-N
XLogP3.92
TPSA127.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

3-(1-propan-2-ylimidazol-4-yl)-N-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 97447003
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CID 97447063
2-benzyl-N-pyridin-3-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885366
3-pyridin-3-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 69004552
N-(6-methyl-2-pyridinyl)-3-(1-propan-2-ylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155831368
1-phenyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 100825086
N-[(2,5-dimethoxyphenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155849060
2-methyl-1-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]propan-1-one
CID 134690296
1-N-(3-fluorophenyl)-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071855
N-(3,4-difluorophenyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110651441
3-pyridin-3-yl-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 69004411
3-cyclopropyl-N-pyrimidin-4-ylimidazo[1,5-a]pyridine-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171926477

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155843446) is N-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1cccnc1)c1nc(-c2cn(-c3nccs3)cn2)n2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of N-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is IIKFCCHSDGBKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7OS.C2HF3O2/c27-18(23-13-4-3-6-20-10-13)16-15-5-1-2-8-26(15)17(24-16)14-11-25(12-22-14)19-21-7-9-28-19;3-2(4,5)1(6)7/h1-12H,(H,23,27);(H,6,7).
What are the key properties of N-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid?
N-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 501.45 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-3-[1-(1,3-thiazol-2-yl)imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155843446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).