1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione

C21H23N5O2 — CID 72888914

IUPAC1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione
SMILESCn1cccc1C(=O)C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1
InChIInChI=1S/C21H23N5O2/c1-24-11-4-6-18(24)19(27)21(28)25-12-7-16(8-13-25)20-23-10-14-26(20)15-17-5-2-3-9-22-17/h2-6,9-11,14,16H,7-8,12-13,15H2,1H3
InChIKeyNQLKKCUJPCNFNB-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.25
Rot. Bonds5

About 1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione

1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione (PubChem CID 72888914) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione
PubChem CID72888914
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione
SMILESCn1cccc1C(=O)C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1
InChIInChI=1S/C21H23N5O2/c1-24-11-4-6-18(24)19(27)21(28)25-12-7-16(8-13-25)20-23-10-14-26(20)15-17-5-2-3-9-22-17/h2-6,9-11,14,16H,7-8,12-13,15H2,1H3
InChIKeyNQLKKCUJPCNFNB-UHFFFAOYSA-N
XLogP2.25
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97150810
(1-cyclopropylpyrrol-2-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72841949
1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 72911781
[(3R)-1-methylpiperidin-3-yl]-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97122863
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72863746
(2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97276264
1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 72865254
2-(2,4-dichlorophenoxy)-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 3867445
2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazol-5-yl-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 134086412
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 3860958
4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide
CID 3680928
5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 72937420

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione (CID 72888914) is 1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione is Cn1cccc1C(=O)C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione?
The InChIKey is NQLKKCUJPCNFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-24-11-4-6-18(24)19(27)21(28)25-12-7-16(8-13-25)20-23-10-14-26(20)15-17-5-2-3-9-22-17/h2-6,9-11,14,16H,7-8,12-13,15H2,1H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione?
1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione has a molecular weight of 377.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 72888914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).