1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide

C20H25N5O2S — CID 122283263

IUPAC1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)c1C
InChIInChI=1S/C20H25N5O2S/c1-4-25-15(3)20(14(2)22-25)28(26,27)23-17-10-6-5-9-16(17)18-13-24-12-8-7-11-19(24)21-18/h5-6,9-10,13,23H,4,7-8,11-12H2,1-3H3
InChIKeyBSFWOTSCKVDZQE-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.52
Rot. Bonds5

About 1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide (PubChem CID 122283263) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
PubChem CID122283263
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)c1C
InChIInChI=1S/C20H25N5O2S/c1-4-25-15(3)20(14(2)22-25)28(26,27)23-17-10-6-5-9-16(17)18-13-24-12-8-7-11-19(24)21-18/h5-6,9-10,13,23H,4,7-8,11-12H2,1-3H3
InChIKeyBSFWOTSCKVDZQE-UHFFFAOYSA-N
XLogP3.52
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide (CID 122283263) is 1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is BSFWOTSCKVDZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-4-25-15(3)20(14(2)22-25)28(26,27)23-17-10-6-5-9-16(17)18-13-24-12-8-7-11-19(24)21-18/h5-6,9-10,13,23H,4,7-8,11-12H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 399.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 122283263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).