2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

C19H22N10O2 — CID 165126783

IUPAC2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1nc2ncc(C)cn2c1C(=O)NCc1coc(-c2nc3n(n2)CCNNC3)n1
InChIInChI=1S/C19H22N10O2/c1-3-13-15(28-9-11(2)6-21-19(28)25-13)17(30)20-7-12-10-31-18(24-12)16-26-14-8-23-22-4-5-29(14)27-16/h6,9-10,22-23H,3-5,7-8H2,1-2H3,(H,20,30)
InChIKeyMGNFNHQOANDODY-UHFFFAOYSA-N
MW422.45 g/mol
LogP0.38
Rot. Bonds5

About 2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 165126783) has the molecular formula C19H22N10O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID165126783
Molecular FormulaC19H22N10O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC Name2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCCc1nc2ncc(C)cn2c1C(=O)NCc1coc(-c2nc3n(n2)CCNNC3)n1
InChIInChI=1S/C19H22N10O2/c1-3-13-15(28-9-11(2)6-21-19(28)25-13)17(30)20-7-12-10-31-18(24-12)16-26-14-8-23-22-4-5-29(14)27-16/h6,9-10,22-23H,3-5,7-8H2,1-2H3,(H,20,30)
InChIKeyMGNFNHQOANDODY-UHFFFAOYSA-N
XLogP0.38
TPSA140.09 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.45
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

2-ethyl-6-methyl-N-[[4-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126629
ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 156649042
2-ethyl-6-methyl-N-[[2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]pyrimidin-5-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126668
2-ethyl-N-[[3-(1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 165126726
[1-[4-[[(2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carbonyl)amino]methyl]-2-fluorophenyl]-5,6-dihydro-1,2,4-triazin-4-yl]thallium
CID 165126504
2-cyclopropyl-N-[[3-fluoro-4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 171735345
6-chloro-2-ethyl-N-[[4-(4-fluoropiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 135194020
7-amino-6-chloro-2-ethyl-N-[[5-fluoro-6-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171395410
2-ethyl-N-[[4-[(7R)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176614133
2-ethyl-6,7-dimethyl-N-[[4-[7-(trifluoromethylsulfonyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 165126820
6-chloro-2-ethyl-N-[[4-(1-pyridin-3-ylpiperidin-4-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 135193990
2-ethyl-6-(trifluoromethyl)-N-[[4-[(7R)-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 176613992

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (CID 165126783) is 2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is CCc1nc2ncc(C)cn2c1C(=O)NCc1coc(-c2nc3n(n2)CCNNC3)n1.
What is the InChIKey of 2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is MGNFNHQOANDODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N10O2/c1-3-13-15(28-9-11(2)6-21-19(28)25-13)17(30)20-7-12-10-31-18(24-12)16-26-14-8-23-22-4-5-29(14)27-16/h6,9-10,22-23H,3-5,7-8H2,1-2H3,(H,20,30).
What are the key properties of 2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[5,1-d][1,2,5]triazepin-2-yl)-1,3-oxazol-4-yl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165126783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).