N,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride

C20H18Cl2N6OS2 — CID 68812206

IUPACN,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride
SMILESCN(C)C(=O)c1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)s1.Cl.Cl
InChIInChI=1S/C20H16N6OS2.2ClH/c1-25(2)20(27)16-5-4-15(29-16)18-13(9-23-24-18)12-3-6-17-22-10-14(26(17)11-12)19-21-7-8-28-19;;/h3-11H,1-2H3,(H,23,24);2*1H
InChIKeyDJTMIASQLDFCIU-UHFFFAOYSA-N
MW493.45 g/mol
LogP5.12
Rot. Bonds4

About N,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride

N,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride (PubChem CID 68812206) has the molecular formula C20H18Cl2N6OS2 and a molecular weight of 493.45 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride
PubChem CID68812206
Molecular FormulaC20H18Cl2N6OS2
Molecular Weight493.45 g/mol
Exact Mass492.04
IUPAC NameN,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride
SMILESCN(C)C(=O)c1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)s1.Cl.Cl
InChIInChI=1S/C20H16N6OS2.2ClH/c1-25(2)20(27)16-5-4-15(29-16)18-13(9-23-24-18)12-3-6-17-22-10-14(26(17)11-12)19-21-7-8-28-19;;/h3-11H,1-2H3,(H,23,24);2*1H
InChIKeyDJTMIASQLDFCIU-UHFFFAOYSA-N
XLogP5.12
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride?
The IUPAC name of N,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride (CID 68812206) is N,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride?
The canonical SMILES for N,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride is CN(C)C(=O)c1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)s1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride?
The InChIKey is DJTMIASQLDFCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS2.2ClH/c1-25(2)20(27)16-5-4-15(29-16)18-13(9-23-24-18)12-3-6-17-22-10-14(26(17)11-12)19-21-7-8-28-19;;/h3-11H,1-2H3,(H,23,24);2*1H.
What are the key properties of N,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride?
N,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride has a molecular weight of 493.45 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxamide;dihydrochloride is sourced from PubChem (CID 68812206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).