7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone

C19H19N5O2 — CID 167745776

IUPAC7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone
SMILESCOc1ccc(Cn2cc(C(=O)N3CCc4nnccc4C3)cn2)cc1
InChIInChI=1S/C19H19N5O2/c1-26-17-4-2-14(3-5-17)11-24-13-16(10-21-24)19(25)23-9-7-18-15(12-23)6-8-20-22-18/h2-6,8,10,13H,7,9,11-12H2,1H3
InChIKeyVZRWCMKVHICHGI-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.93
Rot. Bonds4

About 7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone

7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone (PubChem CID 167745776) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone
PubChem CID167745776
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone
SMILESCOc1ccc(Cn2cc(C(=O)N3CCc4nnccc4C3)cn2)cc1
InChIInChI=1S/C19H19N5O2/c1-26-17-4-2-14(3-5-17)11-24-13-16(10-21-24)19(25)23-9-7-18-15(12-23)6-8-20-22-18/h2-6,8,10,13H,7,9,11-12H2,1H3
InChIKeyVZRWCMKVHICHGI-UHFFFAOYSA-N
XLogP1.93
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone with MolForge

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Related Compounds

1-[1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118368
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
(1-benzylpyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 42470460
[1-(1-benzylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475301
[4-(3-aminopropoxy)piperidin-1-yl]-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone
CID 119663438
1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid
CID 175377648
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35323460
(1-benzylpyrazol-4-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9474985
(4-fluorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 53146954
(5-bromofuran-2-yl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 53146943
N-ethyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147131
1-[(4-methoxyphenyl)methyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119443218

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone?
The IUPAC name of 7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone (CID 167745776) is 7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone.
What is the SMILES notation for 7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone?
The canonical SMILES for 7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone is COc1ccc(Cn2cc(C(=O)N3CCc4nnccc4C3)cn2)cc1.
What is the InChIKey of 7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone?
The InChIKey is VZRWCMKVHICHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-26-17-4-2-14(3-5-17)11-24-13-16(10-21-24)19(25)23-9-7-18-15(12-23)6-8-20-22-18/h2-6,8,10,13H,7,9,11-12H2,1H3.
What are the key properties of 7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone?
7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone has a molecular weight of 349.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanone is sourced from PubChem (CID 167745776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).