[1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol

C22H22N6O — CID 71525809

IUPAC[1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1
InChIInChI=1S/C22H22N6O/c29-15-17-8-5-12-27(17)21-10-4-9-20(25-21)24-19-14-18(16-6-2-1-3-7-16)26-28-13-11-23-22(19)28/h1-4,6-7,9-11,13-14,17,29H,5,8,12,15H2,(H,24,25)
InChIKeyAQXSKRPPRFKVSP-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.50
Rot. Bonds5

About [1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol

[1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol (PubChem CID 71525809) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is [1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol
PubChem CID71525809
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name[1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1
InChIInChI=1S/C22H22N6O/c29-15-17-8-5-12-27(17)21-10-4-9-20(25-21)24-19-14-18(16-6-2-1-3-7-16)26-28-13-11-23-22(19)28/h1-4,6-7,9-11,13-14,17,29H,5,8,12,15H2,(H,24,25)
InChIKeyAQXSKRPPRFKVSP-UHFFFAOYSA-N
XLogP3.50
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol (CID 71525809) is [1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1.
What is the InChIKey of [1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The InChIKey is AQXSKRPPRFKVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c29-15-17-8-5-12-27(17)21-10-4-9-20(25-21)24-19-14-18(16-6-2-1-3-7-16)26-28-13-11-23-22(19)28/h1-4,6-7,9-11,13-14,17,29H,5,8,12,15H2,(H,24,25).
What are the key properties of [1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol?
[1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol has a molecular weight of 386.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[(6-phenylimidazo[1,2-b]pyridazin-8-yl)amino]-2-pyridinyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 71525809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).