2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride

C18H13Cl2N9S2 — CID 22031102

IUPAC2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1csc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(-c5nn[nH]n5)s4)cn23)n1
InChIInChI=1S/C18H11N9S2.2ClH/c1-4-15-20-8-12(18-19-5-6-28-18)27(15)9-10(1)11-7-21-22-16(11)13-2-3-14(29-13)17-23-25-26-24-17;;/h1-9H,(H,21,22)(H,23,24,25,26);2*1H
InChIKeySEZWKAUTLPLUOI-UHFFFAOYSA-N
MW490.41 g/mol
LogP4.60
Rot. Bonds4

About 2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride

2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride (PubChem CID 22031102) has the molecular formula C18H13Cl2N9S2 and a molecular weight of 490.41 g/mol. Its IUPAC name is 2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride
PubChem CID22031102
Molecular FormulaC18H13Cl2N9S2
Molecular Weight490.41 g/mol
Exact Mass489.01
IUPAC Name2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1csc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(-c5nn[nH]n5)s4)cn23)n1
InChIInChI=1S/C18H11N9S2.2ClH/c1-4-15-20-8-12(18-19-5-6-28-18)27(15)9-10(1)11-7-21-22-16(11)13-2-3-14(29-13)17-23-25-26-24-17;;/h1-9H,(H,21,22)(H,23,24,25,26);2*1H
InChIKeySEZWKAUTLPLUOI-UHFFFAOYSA-N
XLogP4.60
TPSA113.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride?
The IUPAC name of 2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride (CID 22031102) is 2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride?
The canonical SMILES for 2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride is Cl.Cl.c1csc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(-c5nn[nH]n5)s4)cn23)n1.
What is the InChIKey of 2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride?
The InChIKey is SEZWKAUTLPLUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N9S2.2ClH/c1-4-15-20-8-12(18-19-5-6-28-18)27(15)9-10(1)11-7-21-22-16(11)13-2-3-14(29-13)17-23-25-26-24-17;;/h1-9H,(H,21,22)(H,23,24,25,26);2*1H.
What are the key properties of 2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride?
2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride has a molecular weight of 490.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 22031102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).