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

C25H29N7O3 — CID 90358381

IUPAC(5R)-5-[[3-[4-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
SMILESCN(C)C1CCN(c2ccnc3oc(-c4cnc5ccc(OC[C@H]6CCC(=O)N6)nn45)cc23)CC1
InChIInChI=1S/C25H29N7O3/c1-30(2)17-8-11-31(12-9-17)19-7-10-26-25-18(19)13-21(35-25)20-14-27-22-4-6-24(29-32(20)22)34-15-16-3-5-23(33)28-16/h4,6-7,10,13-14,16-17H,3,5,8-9,11-12,15H2,1-2H3,(H,28,33)/t16-/m1/s1
InChIKeyOUCIUTXOHBXYAW-MRXNPFEDSA-N
MW475.55 g/mol
LogP2.73
Rot. Bonds6

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

(5R)-5-[[3-[4-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 90358381) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is (5R)-5-[[3-[4-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[3-[4-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
PubChem CID90358381
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name(5R)-5-[[3-[4-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
SMILESCN(C)C1CCN(c2ccnc3oc(-c4cnc5ccc(OC[C@H]6CCC(=O)N6)nn45)cc23)CC1
InChIInChI=1S/C25H29N7O3/c1-30(2)17-8-11-31(12-9-17)19-7-10-26-25-18(19)13-21(35-25)20-14-27-22-4-6-24(29-32(20)22)34-15-16-3-5-23(33)28-16/h4,6-7,10,13-14,16-17H,3,5,8-9,11-12,15H2,1-2H3,(H,28,33)/t16-/m1/s1
InChIKeyOUCIUTXOHBXYAW-MRXNPFEDSA-N
XLogP2.73
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

(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
5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 123513480
(5S)-5-[[3-[4-[(2R)-2-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 90358318
5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one
CID 90357590
(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 78322620
N-[(2R)-1-hydroxypropan-2-yl]-3-(4-morpholin-4-ylfuro[2,3-b]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
CID 154334689
(3S)-3-[[3-[4-[ethyl(2-methoxyethyl)amino]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclopentan-1-one
CID 158056487
[3-[3-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxycyclobutyl]carbamic acid
CID 90358255
(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
6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one
CID 144686366
3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
CID 71744510
4-[(3S)-3-methylpiperazin-1-yl]-2-[6-(3-methylsulfonylpropoxy)imidazo[1,2-b]pyridazin-3-yl]furo[3,2-c]pyridine
CID 78324492

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[3-[4-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[3-[4-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one (CID 90358381) is (5R)-5-[[3-[4-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[3-[4-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[3-[4-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one is CN(C)C1CCN(c2ccnc3oc(-c4cnc5ccc(OC[C@H]6CCC(=O)N6)nn45)cc23)CC1.
What is the InChIKey of (5R)-5-[[3-[4-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is OUCIUTXOHBXYAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-30(2)17-8-11-31(12-9-17)19-7-10-26-25-18(19)13-21(35-25)20-14-27-22-4-6-24(29-32(20)22)34-15-16-3-5-23(33)28-16/h4,6-7,10,13-14,16-17H,3,5,8-9,11-12,15H2,1-2H3,(H,28,33)/t16-/m1/s1.
What are the key properties of (5R)-5-[[3-[4-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?
(5R)-5-[[3-[4-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 475.55 g/mol, XLogP of 2.73, 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-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 90358381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).