2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide

C18H19N5O2 — CID 95138432

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCc1nn(CC(=O)N[C@@H]2CCc3nccn3C2)c(=O)c2ccccc12
InChIInChI=1S/C18H19N5O2/c1-12-14-4-2-3-5-15(14)18(25)23(21-12)11-17(24)20-13-6-7-16-19-8-9-22(16)10-13/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeyMPTKPYNALXAVPC-CYBMUJFWSA-N
MW337.38 g/mol
LogP1.03
Rot. Bonds3

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (PubChem CID 95138432) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
PubChem CID95138432
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCc1nn(CC(=O)N[C@@H]2CCc3nccn3C2)c(=O)c2ccccc12
InChIInChI=1S/C18H19N5O2/c1-12-14-4-2-3-5-15(14)18(25)23(21-12)11-17(24)20-13-6-7-16-19-8-9-22(16)10-13/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeyMPTKPYNALXAVPC-CYBMUJFWSA-N
XLogP1.03
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95761041
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 86772662
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 7290171
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 86965656
N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857351
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 45229156
2-(2-oxoquinoxalin-1-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95136993
2-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86771999
4-(2-methylphenoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide
CID 86772130
2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95148098
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (CID 95138432) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is Cc1nn(CC(=O)N[C@@H]2CCc3nccn3C2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The InChIKey is MPTKPYNALXAVPC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-14-4-2-3-5-15(14)18(25)23(21-12)11-17(24)20-13-6-7-16-19-8-9-22(16)10-13/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,20,24)/t13-/m1/s1.
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is sourced from PubChem (CID 95138432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).