(5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one

C24H27N7O3 — CID 90358198

About (5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one

(5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 90358198) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is (5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
• PubChem CID: 90358198
• Molecular Formula: C24H27N7O3
• Molecular Weight: 461.53 g/mol
• Exact Mass: 461.22
• IUPAC Name: (5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
• SMILES: CN(C)[C@H]1CCN(c2nccc3oc(-c4cnc5ccc(OC[C@H]6CCC(=O)N6)nn45)cc23)C1
• InChI: InChI=1S/C24H27N7O3/c1-29(2)16-8-10-30(13-16)24-17-11-20(34-19(17)7-9-25-24)18-12-26-21-4-6-23(28-31(18)21)33-14-15-3-5-22(32)27-15/h4,6-7,9,11-12,15-16H,3,5,8,10,13-14H2,1-2H3,(H,27,32)/t15-,16+/m1/s1
• InChIKey: YTNHOIPVRTZMEN-CVEARBPZSA-N
• XLogP: 2.34
• TPSA: 101.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.53
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?

The IUPAC name of (5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one (CID 90358198) is (5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one.

What is the SMILES notation for (5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?

The canonical SMILES for (5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one is CN(C)[C@H]1CCN(c2nccc3oc(-c4cnc5ccc(OC[C@H]6CCC(=O)N6)nn45)cc23)C1.

What is the InChIKey of (5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?

The InChIKey is YTNHOIPVRTZMEN-CVEARBPZSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-29(2)16-8-10-30(13-16)24-17-11-20(34-19(17)7-9-25-24)18-12-26-21-4-6-23(28-31(18)21)33-14-15-3-5-22(32)27-15/h4,6-7,9,11-12,15-16H,3,5,8,10,13-14H2,1-2H3,(H,27,32)/t15-,16+/m1/s1.

What are the key properties of (5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?

(5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 461.53 g/mol, XLogP of 2.34, 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-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 90358198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).