6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide

C19H22N8O2 — CID 146669783

IUPAC6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1cnc2ccc(N3CCCC3)nn12)c1ccc(N2CCC(O)C2)nn1
InChIInChI=1S/C19H22N8O2/c28-13-7-10-26(12-13)16-4-3-14(22-23-16)19(29)21-18-11-20-15-5-6-17(24-27(15)18)25-8-1-2-9-25/h3-6,11,13,28H,1-2,7-10,12H2,(H,21,29)
InChIKeyFJVUYKWKGKEDES-UHFFFAOYSA-N
MW394.44 g/mol
LogP0.94
Rot. Bonds4

About 6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide

6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide (PubChem CID 146669783) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide
PubChem CID146669783
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1cnc2ccc(N3CCCC3)nn12)c1ccc(N2CCC(O)C2)nn1
InChIInChI=1S/C19H22N8O2/c28-13-7-10-26(12-13)16-4-3-14(22-23-16)19(29)21-18-11-20-15-5-6-17(24-27(15)18)25-8-1-2-9-25/h3-6,11,13,28H,1-2,7-10,12H2,(H,21,29)
InChIKeyFJVUYKWKGKEDES-UHFFFAOYSA-N
XLogP0.94
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-(dimethylamino)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridine-3-carboxamide
CID 146669270
N-ethyl-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113254513
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325
N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-amine
CID 146669273
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
(3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol
CID 118190619
N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
CID 146635887
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 146415960
6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 126708950
3-cyano-N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 146635888
N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 56824383

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide (CID 146669783) is 6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide is O=C(Nc1cnc2ccc(N3CCCC3)nn12)c1ccc(N2CCC(O)C2)nn1.
What is the InChIKey of 6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide?
The InChIKey is FJVUYKWKGKEDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c28-13-7-10-26(12-13)16-4-3-14(22-23-16)19(29)21-18-11-20-15-5-6-17(24-27(15)18)25-8-1-2-9-25/h3-6,11,13,28H,1-2,7-10,12H2,(H,21,29).
What are the key properties of 6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide?
6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 146669783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).