1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea

C29H23N5O2 — CID 59268814

IUPAC1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea
SMILESN#Cc1cnc2oc(-c3ccccc3)cc2c1NCCc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C29H23N5O2/c30-18-22-19-32-28-25(17-26(36-28)21-7-3-1-4-8-21)27(22)31-16-15-20-11-13-24(14-12-20)34-29(35)33-23-9-5-2-6-10-23/h1-14,17,19H,15-16H2,(H,31,32)(H2,33,34,35)
InChIKeyVWYBJQNUWDMCOI-UHFFFAOYSA-N
MW473.54 g/mol
LogP6.67
Rot. Bonds7

About 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea

1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea (PubChem CID 59268814) has the molecular formula C29H23N5O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea
PubChem CID59268814
Molecular FormulaC29H23N5O2
Molecular Weight473.54 g/mol
Exact Mass473.19
IUPAC Name1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea
SMILESN#Cc1cnc2oc(-c3ccccc3)cc2c1NCCc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C29H23N5O2/c30-18-22-19-32-28-25(17-26(36-28)21-7-3-1-4-8-21)27(22)31-16-15-20-11-13-24(14-12-20)34-29(35)33-23-9-5-2-6-10-23/h1-14,17,19H,15-16H2,(H,31,32)(H2,33,34,35)
InChIKeyVWYBJQNUWDMCOI-UHFFFAOYSA-N
XLogP6.67
TPSA102.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea (CID 59268814) is 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea is N#Cc1cnc2oc(-c3ccccc3)cc2c1NCCc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
The InChIKey is VWYBJQNUWDMCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O2/c30-18-22-19-32-28-25(17-26(36-28)21-7-3-1-4-8-21)27(22)31-16-15-20-11-13-24(14-12-20)34-29(35)33-23-9-5-2-6-10-23/h1-14,17,19H,15-16H2,(H,31,32)(H2,33,34,35).
What are the key properties of 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea has a molecular weight of 473.54 g/mol, XLogP of 6.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea is sourced from PubChem (CID 59268814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).