1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide

C17H15N5O3S2 — CID 71017567

IUPAC1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
SMILESCn1cc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)s4)n3c2)c(C(N)=O)n1
InChIInChI=1S/C17H15N5O3S2/c1-21-9-11(16(20-21)17(18)23)10-3-5-14-19-7-12(22(14)8-10)13-4-6-15(26-13)27(2,24)25/h3-9H,1-2H3,(H2,18,23)
InChIKeySSCMFXDDYFMXQM-UHFFFAOYSA-N
MW401.47 g/mol
LogP1.97
Rot. Bonds4

About 1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide

1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide (PubChem CID 71017567) has the molecular formula C17H15N5O3S2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
PubChem CID71017567
Molecular FormulaC17H15N5O3S2
Molecular Weight401.47 g/mol
Exact Mass401.06
IUPAC Name1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
SMILESCn1cc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)s4)n3c2)c(C(N)=O)n1
InChIInChI=1S/C17H15N5O3S2/c1-21-9-11(16(20-21)17(18)23)10-3-5-14-19-7-12(22(14)8-10)13-4-6-15(26-13)27(2,24)25/h3-9H,1-2H3,(H2,18,23)
InChIKeySSCMFXDDYFMXQM-UHFFFAOYSA-N
XLogP1.97
TPSA112.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide (CID 71017567) is 1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide is Cn1cc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)s4)n3c2)c(C(N)=O)n1.
What is the InChIKey of 1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
The InChIKey is SSCMFXDDYFMXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S2/c1-21-9-11(16(20-21)17(18)23)10-3-5-14-19-7-12(22(14)8-10)13-4-6-15(26-13)27(2,24)25/h3-9H,1-2H3,(H2,18,23).
What are the key properties of 1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide?
1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(5-methylsulfonylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 71017567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).