2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide

C21H21N5OS — CID 9185083

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1SCC(=O)NCc1cn2ccccc2n1
InChIInChI=1S/C21H21N5OS/c1-15-21(16(2)26(24-15)18-8-4-3-5-9-18)28-14-20(27)22-12-17-13-25-11-7-6-10-19(25)23-17/h3-11,13H,12,14H2,1-2H3,(H,22,27)
InChIKeyIDYLJWHIDKGYSB-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.55
Rot. Bonds6

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide (PubChem CID 9185083) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
PubChem CID9185083
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1SCC(=O)NCc1cn2ccccc2n1
InChIInChI=1S/C21H21N5OS/c1-15-21(16(2)26(24-15)18-8-4-3-5-9-18)28-14-20(27)22-12-17-13-25-11-7-6-10-19(25)23-17/h3-11,13H,12,14H2,1-2H3,(H,22,27)
InChIKeyIDYLJWHIDKGYSB-UHFFFAOYSA-N
XLogP3.55
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9032028
4-(3,5-dimethylpyrazol-1-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 35991337
N-(2,5-dimethylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9034224
2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 17441492
3-cyclopropyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-phenylpyrazole-5-carboxamide
CID 17453949
N-(3-acetylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9209621
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide
CID 70745382
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 94055154
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]-2,4-dimethylbenzohydrazide
CID 9276647
N-[4-(cyanomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9260919
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
CID 110913540

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide (CID 9185083) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide is Cc1nn(-c2ccccc2)c(C)c1SCC(=O)NCc1cn2ccccc2n1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
The InChIKey is IDYLJWHIDKGYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-15-21(16(2)26(24-15)18-8-4-3-5-9-18)28-14-20(27)22-12-17-13-25-11-7-6-10-19(25)23-17/h3-11,13H,12,14H2,1-2H3,(H,22,27).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide has a molecular weight of 391.50 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 9185083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).