2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide

C14H17N5O2 — CID 95761041

IUPAC2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCc1ccc(=O)n(CC(=O)N[C@H]2CCc3nccn3C2)n1
InChIInChI=1S/C14H17N5O2/c1-10-2-5-14(21)19(17-10)9-13(20)16-11-3-4-12-15-6-7-18(12)8-11/h2,5-7,11H,3-4,8-9H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyVIELGOGUUDEAPY-NSHDSACASA-N
MW287.32 g/mol
LogP-0.12
Rot. Bonds3

About 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide

2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (PubChem CID 95761041) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
PubChem CID95761041
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
SMILESCc1ccc(=O)n(CC(=O)N[C@H]2CCc3nccn3C2)n1
InChIInChI=1S/C14H17N5O2/c1-10-2-5-14(21)19(17-10)9-13(20)16-11-3-4-12-15-6-7-18(12)8-11/h2,5-7,11H,3-4,8-9H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyVIELGOGUUDEAPY-NSHDSACASA-N
XLogP-0.12
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (CID 95761041) is 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.
What is the SMILES notation for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The canonical SMILES for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is Cc1ccc(=O)n(CC(=O)N[C@H]2CCc3nccn3C2)n1.
What is the InChIKey of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
The InChIKey is VIELGOGUUDEAPY-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-2-5-14(21)19(17-10)9-13(20)16-11-3-4-12-15-6-7-18(12)8-11/h2,5-7,11H,3-4,8-9H2,1H3,(H,16,20)/t11-/m0/s1.
What are the key properties of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?
2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide has a molecular weight of 287.32 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is sourced from PubChem (CID 95761041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).