2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one

C16H19N5O2 — CID 75369552

IUPAC2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CCc3c(ncn3C3CC3)C2)n1
InChIInChI=1S/C16H19N5O2/c1-11-2-5-15(22)21(18-11)9-16(23)19-7-6-14-13(8-19)17-10-20(14)12-3-4-12/h2,5,10,12H,3-4,6-9H2,1H3
InChIKeyNVQVQHWROQBASJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.67
Rot. Bonds3

About 2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one

2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one (PubChem CID 75369552) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one
PubChem CID75369552
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CCc3c(ncn3C3CC3)C2)n1
InChIInChI=1S/C16H19N5O2/c1-11-2-5-15(22)21(18-11)9-16(23)19-7-6-14-13(8-19)17-10-20(14)12-3-4-12/h2,5,10,12H,3-4,6-9H2,1H3
InChIKeyNVQVQHWROQBASJ-UHFFFAOYSA-N
XLogP0.67
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one with MolForge

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Related Compounds

2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 111101960
(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 97211641
6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 110103740
1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 75372345
2-[2-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 166612878
6-methyl-2-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 124553977
6-cyclopropyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]pyridazin-3-one
CID 122278526
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-piperidin-3-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 167850877
6-methyl-2-[2-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95778986
2-[2-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 95777903
2-[2-[4-hydroxy-4-(phenoxymethyl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 133079824
(2R)-1-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
CID 97185452

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one (CID 75369552) is 2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC(=O)N2CCc3c(ncn3C3CC3)C2)n1.
What is the InChIKey of 2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one?
The InChIKey is NVQVQHWROQBASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-2-5-15(22)21(18-11)9-16(23)19-7-6-14-13(8-19)17-10-20(14)12-3-4-12/h2,5,10,12H,3-4,6-9H2,1H3.
What are the key properties of 2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one?
2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one has a molecular weight of 313.36 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 75369552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).