6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine

About 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine (PubChem CID 118158306) has the molecular formula C26H28FN7O2S and a molecular weight of 521.62 g/mol. Its IUPAC name is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name	6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine
PubChem CID	118158306
Molecular Formula	C26H28FN7O2S
Molecular Weight	521.62 g/mol
Exact Mass	521.20
IUPAC Name	6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine
SMILES	O=S(O)NC[C@@H]1CCN(c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)n2)C1
InChI	InChI=1S/C26H28FN7O2S/c27-20-5-1-4-19(14-20)22-7-3-12-33(22)26-10-9-24-28-16-23(34(24)31-26)21-6-2-8-25(30-21)32-13-11-18(17-32)15-29-37(35)36/h1-2,4-6,8-10,14,16,18,22,29H,3,7,11-13,15,17H2,(H,35,36)/t18-,22+/m0/s1
InChIKey	SXBCCAVVDFONOY-PGRDOPGGSA-N
XLogP	3.82
TPSA	98.89 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.62
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine?

The IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine (CID 118158306) is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine?

The canonical SMILES for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine is O=S(O)NC[C@@H]1CCN(c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)n2)C1.

What is the InChIKey of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine?

The InChIKey is SXBCCAVVDFONOY-PGRDOPGGSA-N. The full InChI is InChI=1S/C26H28FN7O2S/c27-20-5-1-4-19(14-20)22-7-3-12-33(22)26-10-9-24-28-16-23(34(24)31-26)21-6-2-8-25(30-21)32-13-11-18(17-32)15-29-37(35)36/h1-2,4-6,8-10,14,16,18,22,29H,3,7,11-13,15,17H2,(H,35,36)/t18-,22+/m0/s1.

What are the key properties of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine?

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine has a molecular weight of 521.62 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[(3R)-3-[(sulfinoamino)methyl]pyrrolidin-1-yl]-2-pyridinyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118158306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).