(3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol

C24H25N7O — CID 118190619

IUPAC(3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCCC6)nn45)n3)ccn2)C1
InChIInChI=1S/C24H25N7O/c32-18-9-13-30(16-18)24-14-17(8-10-25-24)19-4-3-5-20(27-19)21-15-26-22-6-7-23(28-31(21)22)29-11-1-2-12-29/h3-8,10,14-15,18,32H,1-2,9,11-13,16H2/t18-/m0/s1
InChIKeyVFQXMLXPPOEPRJ-SFHVURJKSA-N
MW427.51 g/mol
LogP3.02
Rot. Bonds4

About (3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol

(3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 118190619) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is (3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol
PubChem CID118190619
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name(3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCCC6)nn45)n3)ccn2)C1
InChIInChI=1S/C24H25N7O/c32-18-9-13-30(16-18)24-14-17(8-10-25-24)19-4-3-5-20(27-19)21-15-26-22-6-7-23(28-31(21)22)29-11-1-2-12-29/h3-8,10,14-15,18,32H,1-2,9,11-13,16H2/t18-/m0/s1
InChIKeyVFQXMLXPPOEPRJ-SFHVURJKSA-N
XLogP3.02
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol 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

Savolitinib
CID 68289010
Pf-04217903
CID 17754438
Jnj-42396302
CID 51352628
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
Vabametkib
CID 73504719
US10399985, Example 30
CID 118278101
US10399985, Example 3
CID 91826747
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
1-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol
CID 58335500
2-[4-[3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 59341978
2-(4-Fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine
CID 68518789

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol (CID 118190619) is (3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol is O[C@H]1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCCC6)nn45)n3)ccn2)C1.
What is the InChIKey of (3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is VFQXMLXPPOEPRJ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25N7O/c32-18-9-13-30(16-18)24-14-17(8-10-25-24)19-4-3-5-20(27-19)21-15-26-22-6-7-23(28-31(21)22)29-11-1-2-12-29/h3-8,10,14-15,18,32H,1-2,9,11-13,16H2/t18-/m0/s1.
What are the key properties of (3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol?
(3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 427.51 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 118190619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).