N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide

C21H24N6O2 — CID 86915610

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCc1oc(NC(=O)CN2CCN(Cc3cn4ccccc4n3)CC2)c(C#N)c1C
InChIInChI=1S/C21H24N6O2/c1-15-16(2)29-21(18(15)11-22)24-20(28)14-26-9-7-25(8-10-26)12-17-13-27-6-4-3-5-19(27)23-17/h3-6,13H,7-10,12,14H2,1-2H3,(H,24,28)
InChIKeyIEHNKGQIRZJNSR-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.17
Rot. Bonds5

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 86915610) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID86915610
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCc1oc(NC(=O)CN2CCN(Cc3cn4ccccc4n3)CC2)c(C#N)c1C
InChIInChI=1S/C21H24N6O2/c1-15-16(2)29-21(18(15)11-22)24-20(28)14-26-9-7-25(8-10-26)12-17-13-27-6-4-3-5-19(27)23-17/h3-6,13H,7-10,12,14H2,1-2H3,(H,24,28)
InChIKeyIEHNKGQIRZJNSR-UHFFFAOYSA-N
XLogP2.17
TPSA89.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 46689396
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 86915581
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
CID 112807438
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 18135579
methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate
CID 78836239
N-(2,5-difluorophenyl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 134011222
ethyl 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetate
CID 134031725
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 46402825
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 134011203
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 134011385
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 38125978
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87015088

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide (CID 86915610) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide is Cc1oc(NC(=O)CN2CCN(Cc3cn4ccccc4n3)CC2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is IEHNKGQIRZJNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15-16(2)29-21(18(15)11-22)24-20(28)14-26-9-7-25(8-10-26)12-17-13-27-6-4-3-5-19(27)23-17/h3-6,13H,7-10,12,14H2,1-2H3,(H,24,28).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86915610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).