N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide

C23H32N6O2 — CID 29435441

IUPACN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cc(CN2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)CC2)on1
InChIInChI=1S/C23H32N6O2/c1-16-12-20(31-26-16)14-27-8-10-28(11-9-27)15-22(30)25-23-21(13-24)17(2)18(3)29(23)19-6-4-5-7-19/h12,19H,4-11,14-15H2,1-3H3,(H,25,30)
InChIKeyWPYNVWRWSXLJCM-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.14
Rot. Bonds6

About N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide

N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 29435441) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID29435441
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC NameN-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cc(CN2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)CC2)on1
InChIInChI=1S/C23H32N6O2/c1-16-12-20(31-26-16)14-27-8-10-28(11-9-27)15-22(30)25-23-21(13-24)17(2)18(3)29(23)19-6-4-5-7-19/h12,19H,4-11,14-15H2,1-3H3,(H,25,30)
InChIKeyWPYNVWRWSXLJCM-UHFFFAOYSA-N
XLogP3.14
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)acetamide
CID 16599323
N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
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N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 37403534
N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16596813
2-[4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 24507395
N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722176
N-ethyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722178
N-(3,4-dimethylphenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30147759
N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 24506657
N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-(2,3-dihydroindol-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 29435441) is N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide is Cc1cc(CN2CCN(CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)CC2)on1.
What is the InChIKey of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is WPYNVWRWSXLJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-16-12-20(31-26-16)14-27-8-10-28(11-9-27)15-22(30)25-23-21(13-24)17(2)18(3)29(23)19-6-4-5-7-19/h12,19H,4-11,14-15H2,1-3H3,(H,25,30).
What are the key properties of N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 29435441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).