6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C17H16ClN5O2 — CID 139004705

IUPAC6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)N1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C17H16ClN5O2/c1-2-12-16(23-9-11(18)3-4-14(23)19-12)17(25)22-6-5-13-10(8-22)7-15(24)21-20-13/h3-4,7,9H,2,5-6,8H2,1H3,(H,21,24)
InChIKeySRTSVRVBIXRDTJ-UHFFFAOYSA-N
MW357.80 g/mol
LogP1.83
Rot. Bonds2

About 6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 139004705) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID139004705
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)N1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C17H16ClN5O2/c1-2-12-16(23-9-11(18)3-4-14(23)19-12)17(25)22-6-5-13-10(8-22)7-15(24)21-20-13/h3-4,7,9H,2,5-6,8H2,1H3,(H,21,24)
InChIKeySRTSVRVBIXRDTJ-UHFFFAOYSA-N
XLogP1.83
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 71009985
6-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 139007401
6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 112708591
6-chloro-N-[(5-chloro-3H-indol-2-yl)methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 160588209
6-[4-[2-(aminomethyl)phenyl]benzoyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 166363277
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide
CID 154742184
3-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide
CID 166224021
6-chloro-2-ethyl-N-[[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009880
3-[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-4,4-difluoro-3-methylbutanoic acid
CID 167926358
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136883288
[6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 28665695

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 139004705) is 6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is CCc1nc2ccc(Cl)cn2c1C(=O)N1CCc2n[nH]c(=O)cc2C1.
What is the InChIKey of 6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is SRTSVRVBIXRDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-2-12-16(23-9-11(18)3-4-14(23)19-12)17(25)22-6-5-13-10(8-22)7-15(24)21-20-13/h3-4,7,9H,2,5-6,8H2,1H3,(H,21,24).
What are the key properties of 6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 357.80 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 139004705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).