N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide

C20H22N6O2 — CID 46981693

IUPACN-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESCc1nc2nc(-c3ccc(NC(=O)C(C)N4CCCC4=O)cc3)cn2nc1C
InChIInChI=1S/C20H22N6O2/c1-12-13(2)24-26-11-17(23-20(26)21-12)15-6-8-16(9-7-15)22-19(28)14(3)25-10-4-5-18(25)27/h6-9,11,14H,4-5,10H2,1-3H3,(H,22,28)
InChIKeyVUZQIWFZEXAHKH-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.36
Rot. Bonds4

About N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide

N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 46981693) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID46981693
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESCc1nc2nc(-c3ccc(NC(=O)C(C)N4CCCC4=O)cc3)cn2nc1C
InChIInChI=1S/C20H22N6O2/c1-12-13(2)24-26-11-17(23-20(26)21-12)15-6-8-16(9-7-15)22-19(28)14(3)25-10-4-5-18(25)27/h6-9,11,14H,4-5,10H2,1-3H3,(H,22,28)
InChIKeyVUZQIWFZEXAHKH-UHFFFAOYSA-N
XLogP2.36
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]acetamide
CID 46981353
tert-butyl 4-[2-(2-oxopyrrolidin-1-yl)propanoylamino]benzoate
CID 67128323
(2R)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]oxolane-2-carboxamide
CID 92612815
2-(2-oxopyrrolidin-1-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 134702730
(2R)-N-(2-methyl-3H-benzimidazol-5-yl)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 92604255
cis-(1R,3S)-N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-methoxycyclohexane-1-carboxamide
CID 92612806
1-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 92612776
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]amino]benzamide
CID 59610134
(2R)-3-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52813821
2-(2-oxopyrrolidin-1-yl)propanehydrazide
CID 13150926
(2S)-N-(2-methyl-1-benzofuran-7-yl)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 92555087
(2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 8593571

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide (CID 46981693) is N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide is Cc1nc2nc(-c3ccc(NC(=O)C(C)N4CCCC4=O)cc3)cn2nc1C.
What is the InChIKey of N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is VUZQIWFZEXAHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-12-13(2)24-26-11-17(23-20(26)21-12)15-6-8-16(9-7-15)22-19(28)14(3)25-10-4-5-18(25)27/h6-9,11,14H,4-5,10H2,1-3H3,(H,22,28).
What are the key properties of N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide?
N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 378.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dimethylimidazo[1,2-b][1,2,4]triazin-6-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 46981693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).