[4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C19H19N5O2 — CID 122556617

IUPAC[4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCCOc1ccc(-c2ccc(C(=O)N3CCc4[nH]ncc4C3)cc2)nn1
InChIInChI=1S/C19H19N5O2/c1-2-26-18-8-7-16(22-23-18)13-3-5-14(6-4-13)19(25)24-10-9-17-15(12-24)11-20-21-17/h3-8,11H,2,9-10,12H2,1H3,(H,20,21)
InChIKeyQGMAGRVCSQBHMC-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.46
Rot. Bonds4

About [4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

[4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 122556617) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is [4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID122556617
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name[4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCCOc1ccc(-c2ccc(C(=O)N3CCc4[nH]ncc4C3)cc2)nn1
InChIInChI=1S/C19H19N5O2/c1-2-26-18-8-7-16(22-23-18)13-3-5-14(6-4-13)19(25)24-10-9-17-15(12-24)11-20-21-17/h3-8,11H,2,9-10,12H2,1H3,(H,20,21)
InChIKeyQGMAGRVCSQBHMC-UHFFFAOYSA-N
XLogP2.46
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-butoxyphenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859849
(2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 75446913
1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 86859783
2-butyl-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)isoindole-1,3-dione
CID 86859855
[4-(oxolan-2-ylmethoxy)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859815
2-(2-propan-2-ylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 155945432
(5-chloro-2-propoxyphenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 71977744
[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 146088841
(1-tert-butyl-1,2,4-triazol-3-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 136543923
[4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 134801691
[4-(6-methoxypyridazin-3-yl)phenyl]-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 134802267
[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859757

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 122556617) is [4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is CCOc1ccc(-c2ccc(C(=O)N3CCc4[nH]ncc4C3)cc2)nn1.
What is the InChIKey of [4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is QGMAGRVCSQBHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-2-26-18-8-7-16(22-23-18)13-3-5-14(6-4-13)19(25)24-10-9-17-15(12-24)11-20-21-17/h3-8,11H,2,9-10,12H2,1H3,(H,20,21).
What are the key properties of [4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
[4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 349.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethoxypyridazin-3-yl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 122556617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).