(4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone

C17H18N6O — CID 167829500

IUPAC(4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone
SMILESNC1CCN(C(=O)c2ccc(-c3cnn4ncccc34)nc2)CC1
InChIInChI=1S/C17H18N6O/c18-13-5-8-22(9-6-13)17(24)12-3-4-15(19-10-12)14-11-21-23-16(14)2-1-7-20-23/h1-4,7,10-11,13H,5-6,8-9,18H2
InChIKeyZWGDWOQEODYITF-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.35
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone

(4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone (PubChem CID 167829500) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone
PubChem CID167829500
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name(4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone
SMILESNC1CCN(C(=O)c2ccc(-c3cnn4ncccc34)nc2)CC1
InChIInChI=1S/C17H18N6O/c18-13-5-8-22(9-6-13)17(24)12-3-4-15(19-10-12)14-11-21-23-16(14)2-1-7-20-23/h1-4,7,10-11,13H,5-6,8-9,18H2
InChIKeyZWGDWOQEODYITF-UHFFFAOYSA-N
XLogP1.35
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
(4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone
CID 110681807
(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
CID 43556171
N-[4-[(3R)-3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]prop-2-ynamide
CID 138491237
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56753630

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone (CID 167829500) is (4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone is NC1CCN(C(=O)c2ccc(-c3cnn4ncccc34)nc2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone?
The InChIKey is ZWGDWOQEODYITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c18-13-5-8-22(9-6-13)17(24)12-3-4-15(19-10-12)14-11-21-23-16(14)2-1-7-20-23/h1-4,7,10-11,13H,5-6,8-9,18H2.
What are the key properties of (4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone?
(4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone has a molecular weight of 322.37 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(6-pyrazolo[1,5-b]pyridazin-3-yl-3-pyridinyl)methanone is sourced from PubChem (CID 167829500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).