N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine

C22H22N6 — CID 71525988

IUPACN-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine
SMILESC[C@H]1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1
InChIInChI=1S/C22H22N6/c1-16-7-6-13-27(16)21-11-5-10-20(25-21)24-19-15-18(17-8-3-2-4-9-17)26-28-14-12-23-22(19)28/h2-5,8-12,14-16H,6-7,13H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyOLNOLIZABHZSEW-INIZCTEOSA-N
MW370.46 g/mol
LogP4.52
Rot. Bonds4

About N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine

N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine (PubChem CID 71525988) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine
PubChem CID71525988
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC NameN-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine
SMILESC[C@H]1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1
InChIInChI=1S/C22H22N6/c1-16-7-6-13-27(16)21-11-5-10-20(25-21)24-19-15-18(17-8-3-2-4-9-17)26-28-14-12-23-22(19)28/h2-5,8-12,14-16H,6-7,13H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyOLNOLIZABHZSEW-INIZCTEOSA-N
XLogP4.52
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine (CID 71525988) is N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine is C[C@H]1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1.
What is the InChIKey of N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine?
The InChIKey is OLNOLIZABHZSEW-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22N6/c1-16-7-6-13-27(16)21-11-5-10-20(25-21)24-19-15-18(17-8-3-2-4-9-17)26-28-14-12-23-22(19)28/h2-5,8-12,14-16H,6-7,13H2,1H3,(H,24,25)/t16-/m0/s1.
What are the key properties of N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine?
N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine has a molecular weight of 370.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-phenylimidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71525988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).