[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

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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).