(2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine

C23H27N5O3 — CID 78323250

IUPAC(2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine
SMILESCOC[C@H]1CCCN1c1cccc2oc(-c3cnc4ccc(OC[C@@H](C)N)nn34)cc12
InChIInChI=1S/C23H27N5O3/c1-15(24)13-30-23-9-8-22-25-12-19(28(22)26-23)21-11-17-18(6-3-7-20(17)31-21)27-10-4-5-16(27)14-29-2/h3,6-9,11-12,15-16H,4-5,10,13-14,24H2,1-2H3/t15-,16-/m1/s1
InChIKeyNGQBKGWARKIZLG-HZPDHXFCSA-N
MW421.50 g/mol
LogP3.48
Rot. Bonds7

About (2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine

(2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine (PubChem CID 78323250) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is (2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine.

Molecular Properties

Compound Name(2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine
PubChem CID78323250
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name(2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine
SMILESCOC[C@H]1CCCN1c1cccc2oc(-c3cnc4ccc(OC[C@@H](C)N)nn34)cc12
InChIInChI=1S/C23H27N5O3/c1-15(24)13-30-23-9-8-22-25-12-19(28(22)26-23)21-11-17-18(6-3-7-20(17)31-21)27-10-4-5-16(27)14-29-2/h3,6-9,11-12,15-16H,4-5,10,13-14,24H2,1-2H3/t15-,16-/m1/s1
InChIKeyNGQBKGWARKIZLG-HZPDHXFCSA-N
XLogP3.48
TPSA91.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine?
The IUPAC name of (2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine (CID 78323250) is (2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine.
What is the SMILES notation for (2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine?
The canonical SMILES for (2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine is COC[C@H]1CCCN1c1cccc2oc(-c3cnc4ccc(OC[C@@H](C)N)nn34)cc12.
What is the InChIKey of (2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine?
The InChIKey is NGQBKGWARKIZLG-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15(24)13-30-23-9-8-22-25-12-19(28(22)26-23)21-11-17-18(6-3-7-20(17)31-21)27-10-4-5-16(27)14-29-2/h3,6-9,11-12,15-16H,4-5,10,13-14,24H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine?
(2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine has a molecular weight of 421.50 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine is sourced from PubChem (CID 78323250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).