2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride

C20H15Cl2FN6OS — CID 87901707

IUPAC2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1nccs1)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F
InChIInChI=1S/C20H13FN6OS.2ClH/c21-16-7-12(1-3-15(16)19(28)26-20-22-5-6-29-20)17-10-23-18-4-2-13(11-27(17)18)14-8-24-25-9-14;;/h1-11H,(H,24,25)(H,22,26,28);2*1H
InChIKeyVBBMHBPYYQDXEJ-UHFFFAOYSA-N
MW477.35 g/mol
LogP5.08
Rot. Bonds4

About 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride

2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride (PubChem CID 87901707) has the molecular formula C20H15Cl2FN6OS and a molecular weight of 477.35 g/mol. Its IUPAC name is 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride
PubChem CID87901707
Molecular FormulaC20H15Cl2FN6OS
Molecular Weight477.35 g/mol
Exact Mass476.04
IUPAC Name2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1nccs1)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F
InChIInChI=1S/C20H13FN6OS.2ClH/c21-16-7-12(1-3-15(16)19(28)26-20-22-5-6-29-20)17-10-23-18-4-2-13(11-27(17)18)14-8-24-25-9-14;;/h1-11H,(H,24,25)(H,22,26,28);2*1H
InChIKeyVBBMHBPYYQDXEJ-UHFFFAOYSA-N
XLogP5.08
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.35
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride?
The IUPAC name of 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride (CID 87901707) is 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride.
What is the SMILES notation for 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride?
The canonical SMILES for 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride is Cl.Cl.O=C(Nc1nccs1)c1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F.
What is the InChIKey of 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride?
The InChIKey is VBBMHBPYYQDXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6OS.2ClH/c21-16-7-12(1-3-15(16)19(28)26-20-22-5-6-29-20)17-10-23-18-4-2-13(11-27(17)18)14-8-24-25-9-14;;/h1-11H,(H,24,25)(H,22,26,28);2*1H.
What are the key properties of 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride?
2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride has a molecular weight of 477.35 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-(1,3-thiazol-2-yl)benzamide;dihydrochloride is sourced from PubChem (CID 87901707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).