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

C22H22N6O — CID 71526619

IUPAC3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(O)c3)nn3ccnc23)n1
InChIInChI=1S/C22H22N6O/c1-15-5-4-11-27(15)21-9-3-8-20(25-21)24-19-14-18(16-6-2-7-17(29)13-16)26-28-12-10-23-22(19)28/h2-3,6-10,12-15,29H,4-5,11H2,1H3,(H,24,25)
InChIKeyNRSIHEJWMHYXOO-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.23
Rot. Bonds4

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

3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol (PubChem CID 71526619) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol.

Molecular Properties

Compound Name3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol
PubChem CID71526619
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(O)c3)nn3ccnc23)n1
InChIInChI=1S/C22H22N6O/c1-15-5-4-11-27(15)21-9-3-8-20(25-21)24-19-14-18(16-6-2-7-17(29)13-16)26-28-12-10-23-22(19)28/h2-3,6-10,12-15,29H,4-5,11H2,1H3,(H,24,25)
InChIKeyNRSIHEJWMHYXOO-UHFFFAOYSA-N
XLogP4.23
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.23
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]phenol?
The IUPAC name of 3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol (CID 71526619) is 3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol.
What is the SMILES notation for 3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol?
The canonical SMILES for 3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol is CC1CCCN1c1cccc(Nc2cc(-c3cccc(O)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]phenol?
The InChIKey is NRSIHEJWMHYXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-15-5-4-11-27(15)21-9-3-8-20(25-21)24-19-14-18(16-6-2-7-17(29)13-16)26-28-12-10-23-22(19)28/h2-3,6-10,12-15,29H,4-5,11H2,1H3,(H,24,25).
What are the key properties of 3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol?
3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol has a molecular weight of 386.46 g/mol, XLogP of 4.23, 4 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]phenol is sourced from PubChem (CID 71526619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).