1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one

C27H24N4O4 — CID 159139332

IUPAC1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
SMILESNc1ncc(-c2ccnc3oc(C(=O)CC4COC4)cc23)cc1-c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C27H24N4O4/c28-26-21(17-3-5-19(6-4-17)31-9-1-2-25(31)33)11-18(13-30-26)20-7-8-29-27-22(20)12-24(35-27)23(32)10-16-14-34-15-16/h3-8,11-13,16H,1-2,9-10,14-15H2,(H2,28,30)
InChIKeyKHWZYYFSGBMVNW-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.49
Rot. Bonds6

About 1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one

1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one (PubChem CID 159139332) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is 1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
PubChem CID159139332
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC Name1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
SMILESNc1ncc(-c2ccnc3oc(C(=O)CC4COC4)cc23)cc1-c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C27H24N4O4/c28-26-21(17-3-5-19(6-4-17)31-9-1-2-25(31)33)11-18(13-30-26)20-7-8-29-27-22(20)12-24(35-27)23(32)10-16-14-34-15-16/h3-8,11-13,16H,1-2,9-10,14-15H2,(H2,28,30)
InChIKeyKHWZYYFSGBMVNW-UHFFFAOYSA-N
XLogP4.49
TPSA111.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

methyl 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxylate
CID 147687173
N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide
CID 151383060
1-[4-[2-[2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetyl]-1-benzofuran-7-yl]phenyl]pyrrolidin-2-one
CID 58485568
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 149271340
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(4-methyl-3-pyridinyl)phenyl]piperidin-2-one
CID 129218927
1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146769068
1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one
CID 166365330
1-[4-[5-[6-(pyrrolidine-1-carbonyl)-7H-cyclopenta[b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 159588070
1-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidin-2-one
CID 175851778

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one (CID 159139332) is 1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one is Nc1ncc(-c2ccnc3oc(C(=O)CC4COC4)cc23)cc1-c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?
The InChIKey is KHWZYYFSGBMVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c28-26-21(17-3-5-19(6-4-17)31-9-1-2-25(31)33)11-18(13-30-26)20-7-8-29-27-22(20)12-24(35-27)23(32)10-16-14-34-15-16/h3-8,11-13,16H,1-2,9-10,14-15H2,(H2,28,30).
What are the key properties of 1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one?
1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one has a molecular weight of 468.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-amino-5-[2-[2-(oxetan-3-yl)acetyl]furo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 159139332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).