(5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one

C22H23N5O4 — CID 161258147

IUPAC(5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one
SMILESCC(C)Oc1nccc2oc(-c3cnc4ccc(OC[C@H]5CNCC(=O)C5)nn34)cc12
InChIInChI=1S/C22H23N5O4/c1-13(2)30-22-16-8-19(31-18(16)5-6-24-22)17-11-25-20-3-4-21(26-27(17)20)29-12-14-7-15(28)10-23-9-14/h3-6,8,11,13-14,23H,7,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyVCEXGVVQSSSWCE-CQSZACIVSA-N
MW421.46 g/mol
LogP2.88
Rot. Bonds6

About (5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one

(5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one (PubChem CID 161258147) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is (5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one.

Molecular Properties

Compound Name(5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one
PubChem CID161258147
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name(5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one
SMILESCC(C)Oc1nccc2oc(-c3cnc4ccc(OC[C@H]5CNCC(=O)C5)nn34)cc12
InChIInChI=1S/C22H23N5O4/c1-13(2)30-22-16-8-19(31-18(16)5-6-24-22)17-11-25-20-3-4-21(26-27(17)20)29-12-14-7-15(28)10-23-9-14/h3-6,8,11,13-14,23H,7,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyVCEXGVVQSSSWCE-CQSZACIVSA-N
XLogP2.88
TPSA103.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one?
The IUPAC name of (5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one (CID 161258147) is (5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one.
What is the SMILES notation for (5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one?
The canonical SMILES for (5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one is CC(C)Oc1nccc2oc(-c3cnc4ccc(OC[C@H]5CNCC(=O)C5)nn34)cc12.
What is the InChIKey of (5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one?
The InChIKey is VCEXGVVQSSSWCE-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-13(2)30-22-16-8-19(31-18(16)5-6-24-22)17-11-25-20-3-4-21(26-27(17)20)29-12-14-7-15(28)10-23-9-14/h3-6,8,11,13-14,23H,7,9-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one?
(5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one has a molecular weight of 421.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[3-(4-propan-2-yloxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]piperidin-3-one is sourced from PubChem (CID 161258147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).