3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide

C23H27N7O4S — CID 178094002

IUPAC3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide
SMILESCCn1nc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc1C(=O)NCc1ncccn1
InChIInChI=1S/C23H27N7O4S/c1-6-30-16(22(31)27-13-20-24-8-7-9-25-20)10-15(28-30)17-12-26-21-11-18(34-5)19(14-29(17)21)35(32,33)23(2,3)4/h7-12,14H,6,13H2,1-5H3,(H,27,31)
InChIKeyPWGHPMSEGAESLQ-UHFFFAOYSA-N
MW497.58 g/mol
LogP2.52
Rot. Bonds7

About 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide

3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 178094002) has the molecular formula C23H27N7O4S and a molecular weight of 497.58 g/mol. Its IUPAC name is 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID178094002
Molecular FormulaC23H27N7O4S
Molecular Weight497.58 g/mol
Exact Mass497.18
IUPAC Name3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide
SMILESCCn1nc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc1C(=O)NCc1ncccn1
InChIInChI=1S/C23H27N7O4S/c1-6-30-16(22(31)27-13-20-24-8-7-9-25-20)10-15(28-30)17-12-26-21-11-18(34-5)19(14-29(17)21)35(32,33)23(2,3)4/h7-12,14H,6,13H2,1-5H3,(H,27,31)
InChIKeyPWGHPMSEGAESLQ-UHFFFAOYSA-N
XLogP2.52
TPSA133.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

methyl 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazole-5-carboxylate
CID 172630977
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazol-5-amine
CID 172631077
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 178094171
3-[6-tert-butylsulfonyl-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-1-(2-methoxyethyl)pyrazole-5-carboxylic acid
CID 172630995
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-1-(1-methylazetidin-3-yl)pyrazole-5-carboxamide
CID 172631185
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]butanamide
CID 172631453
6-tert-butylsulfonyl-7-methoxy-3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridine
CID 170616516
5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylpyridin-2-amine
CID 170616418
6-tert-butylsulfonyl-7-methoxy-3-(1-methylindazol-6-yl)imidazo[1,2-a]pyridine
CID 172631776
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide
CID 172630093
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide
CID 170434746
2-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-7-methoxyindazol-1-yl]ethanol
CID 172631901

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide (CID 178094002) is 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide is CCn1nc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc1C(=O)NCc1ncccn1.
What is the InChIKey of 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is PWGHPMSEGAESLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O4S/c1-6-30-16(22(31)27-13-20-24-8-7-9-25-20)10-15(28-30)17-12-26-21-11-18(34-5)19(14-29(17)21)35(32,33)23(2,3)4/h7-12,14H,6,13H2,1-5H3,(H,27,31).
What are the key properties of 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide?
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-ethyl-N-(pyrimidin-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 178094002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).