benzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate

C25H23FN2O3 — CID 122501539

IUPACbenzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate
SMILESC=C(C)c1nc(-c2ccc(F)cc2)cc2c1OC(C)(NC(=O)OCc1ccccc1)C2
InChIInChI=1S/C25H23FN2O3/c1-16(2)22-23-19(13-21(27-22)18-9-11-20(26)12-10-18)14-25(3,31-23)28-24(29)30-15-17-7-5-4-6-8-17/h4-13H,1,14-15H2,2-3H3,(H,28,29)
InChIKeyMPVWCENDEIMJQK-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.50
Rot. Bonds5

About benzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate

benzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate (PubChem CID 122501539) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is benzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate
PubChem CID122501539
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Namebenzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate
SMILESC=C(C)c1nc(-c2ccc(F)cc2)cc2c1OC(C)(NC(=O)OCc1ccccc1)C2
InChIInChI=1S/C25H23FN2O3/c1-16(2)22-23-19(13-21(27-22)18-9-11-20(26)12-10-18)14-25(3,31-23)28-24(29)30-15-17-7-5-4-6-8-17/h4-13H,1,14-15H2,2-3H3,(H,28,29)
InChIKeyMPVWCENDEIMJQK-UHFFFAOYSA-N
XLogP5.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate?
The IUPAC name of benzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate (CID 122501539) is benzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate.
What is the SMILES notation for benzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate?
The canonical SMILES for benzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate is C=C(C)c1nc(-c2ccc(F)cc2)cc2c1OC(C)(NC(=O)OCc1ccccc1)C2.
What is the InChIKey of benzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate?
The InChIKey is MPVWCENDEIMJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c1-16(2)22-23-19(13-21(27-22)18-9-11-20(26)12-10-18)14-25(3,31-23)28-24(29)30-15-17-7-5-4-6-8-17/h4-13H,1,14-15H2,2-3H3,(H,28,29).
What are the key properties of benzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate?
benzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate has a molecular weight of 418.47 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-(4-fluorophenyl)-2-methyl-7-prop-1-en-2-yl-3H-furo[2,3-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 122501539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).