tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate

C23H24N2O4 — CID 19597605

IUPACtert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cc2ncc(C(=O)c3ccccc3)cc2o1
InChIInChI=1S/C23H24N2O4/c1-23(2,3)29-22(27)25-11-7-10-18(25)20-13-17-19(28-20)12-16(14-24-17)21(26)15-8-5-4-6-9-15/h4-6,8-9,12-14,18H,7,10-11H2,1-3H3
InChIKeyAXCFAHANWDUBOL-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.13
Rot. Bonds3

About tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate (PubChem CID 19597605) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
PubChem CID19597605
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Nametert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cc2ncc(C(=O)c3ccccc3)cc2o1
InChIInChI=1S/C23H24N2O4/c1-23(2,3)29-22(27)25-11-7-10-18(25)20-13-17-19(28-20)12-16(14-24-17)21(26)15-8-5-4-6-9-15/h4-6,8-9,12-14,18H,7,10-11H2,1-3H3
InChIKeyAXCFAHANWDUBOL-UHFFFAOYSA-N
XLogP5.13
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[6-(benzamidomethyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-1-carboxylate
CID 19597635
tert-butyl (2S)-2-(5-bromofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 18396225
tert-butyl 2-(5,6-dichlorofuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 19597587
tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate
CID 19597717
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 45073984
tert-butyl 2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 69255350
tert-butyl 2-(6-phenylpyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 118426415
4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 86309421
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
tert-butyl (2S)-2-(1-phenyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxylate
CID 59650638
tert-butyl 2-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
CID 130454621

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate (CID 19597605) is tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1cc2ncc(C(=O)c3ccccc3)cc2o1.
What is the InChIKey of tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is AXCFAHANWDUBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-23(2,3)29-22(27)25-11-7-10-18(25)20-13-17-19(28-20)12-16(14-24-17)21(26)15-8-5-4-6-9-15/h4-6,8-9,12-14,18H,7,10-11H2,1-3H3.
What are the key properties of tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-benzoylfuro[3,2-b]pyridin-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 19597605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).