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

C21H24N6O — CID 122570445

IUPAC[3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCCNc1ccc(-c2cccc(C(=O)N3CCc4[nH]nc(CC)c4C3)c2)nn1
InChIInChI=1S/C21H24N6O/c1-3-17-16-13-27(11-10-19(16)25-23-17)21(28)15-7-5-6-14(12-15)18-8-9-20(22-4-2)26-24-18/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyKVDCNBZQIBSIRT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.06
Rot. Bonds5

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

[3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (PubChem CID 122570445) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is [3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
PubChem CID122570445
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name[3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCCNc1ccc(-c2cccc(C(=O)N3CCc4[nH]nc(CC)c4C3)c2)nn1
InChIInChI=1S/C21H24N6O/c1-3-17-16-13-27(11-10-19(16)25-23-17)21(28)15-7-5-6-14(12-15)18-8-9-20(22-4-2)26-24-18/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyKVDCNBZQIBSIRT-UHFFFAOYSA-N
XLogP3.06
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone
CID 39755711
(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 72869094
6-[4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)phenyl]-2-methylpyridazin-3-one
CID 122566176
5-(3-chlorobenzoyl)-N-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914428
(5-methyl-2-phenyl-1H-imidazol-4-yl)-(3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 29170162
N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435525
3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 118761559
[3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
CID 50778603
5-(3-methoxybenzoyl)-N-(2-piperidin-1-ylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874633
5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 56716529
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 39826456
(3-benzyl-4-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)-phenylmethanone
CID 70510356

Frequently Asked Questions

What is the IUPAC name of [3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The IUPAC name of [3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (CID 122570445) is [3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.
What is the SMILES notation for [3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The canonical SMILES for [3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is CCNc1ccc(-c2cccc(C(=O)N3CCc4[nH]nc(CC)c4C3)c2)nn1.
What is the InChIKey of [3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The InChIKey is KVDCNBZQIBSIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-3-17-16-13-27(11-10-19(16)25-23-17)21(28)15-7-5-6-14(12-15)18-8-9-20(22-4-2)26-24-18/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of [3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
[3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is sourced from PubChem (CID 122570445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).