[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

C23H24N6O — CID 71451823

IUPAC[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(CO)c3)nn3ccnc23)n1
InChIInChI=1S/C23H24N6O/c1-16-5-4-11-28(16)22-9-3-8-21(26-22)25-20-14-19(27-29-12-10-24-23(20)29)18-7-2-6-17(13-18)15-30/h2-3,6-10,12-14,16,30H,4-5,11,15H2,1H3,(H,25,26)
InChIKeyRRLDDDWFZGWTPM-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.02
Rot. Bonds5

About [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 71451823) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
PubChem CID71451823
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(CO)c3)nn3ccnc23)n1
InChIInChI=1S/C23H24N6O/c1-16-5-4-11-28(16)22-9-3-8-21(26-22)25-20-14-19(27-29-12-10-24-23(20)29)18-7-2-6-17(13-18)15-30/h2-3,6-10,12-14,16,30H,4-5,11,15H2,1H3,(H,25,26)
InChIKeyRRLDDDWFZGWTPM-UHFFFAOYSA-N
XLogP4.02
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol with MolForge

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Related Compounds

(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 21066379
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
2-{[2-(4-{5-[(1-ethyl-1H-pyrazol-3-yl)amino]-1H-[1,2,3]triazolo[4,5-d]pyrimidin-1-yl}phenyl)propan-2-yl]oxy}ethan-1-ol
CID 90655897
US10399985, Example 3
CID 91826747
(2R)-2-[(2S)-4-[5-fluoro-3-(hydroxymethyl)-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 53354478
2-(4-{4-[7-(3-Hydroxymethyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-piperidin-1-yl)-acetamide
CID 57401364
[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
2-[4-[3-[(1S)-1-quinolin-6-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 59341978
US10214537, Example 90
CID 130363112
7-[3-(4-Methylpiperazin-1-yl)phenyl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130363418
US10214537, Example 98
CID 130363463
[5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridin-3-yl]methanol
CID 146597504

Frequently Asked Questions

What is the IUPAC name of [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The IUPAC name of [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (CID 71451823) is [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.
What is the SMILES notation for [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The canonical SMILES for [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is CC1CCCN1c1cccc(Nc2cc(-c3cccc(CO)c3)nn3ccnc23)n1.
What is the InChIKey of [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The InChIKey is RRLDDDWFZGWTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-16-5-4-11-28(16)22-9-3-8-21(26-22)25-20-14-19(27-29-12-10-24-23(20)29)18-7-2-6-17(13-18)15-30/h2-3,6-10,12-14,16,30H,4-5,11,15H2,1H3,(H,25,26).
What are the key properties of [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 400.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 71451823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).