1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea

C25H19FN4O2S — CID 18451196

IUPAC1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3csc4c(-c5ccoc5)cnc(N)c34)cc2)c1
InChIInChI=1S/C25H19FN4O2S/c1-14-2-7-20(26)21(10-14)30-25(31)29-17-5-3-15(4-6-17)19-13-33-23-18(16-8-9-32-12-16)11-28-24(27)22(19)23/h2-13H,1H3,(H2,27,28)(H2,29,30,31)
InChIKeyDNFPECRHWDYYQD-UHFFFAOYSA-N
MW458.52 g/mol
LogP6.90
Rot. Bonds4

About 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea

1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea (PubChem CID 18451196) has the molecular formula C25H19FN4O2S and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
PubChem CID18451196
Molecular FormulaC25H19FN4O2S
Molecular Weight458.52 g/mol
Exact Mass458.12
IUPAC Name1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3csc4c(-c5ccoc5)cnc(N)c34)cc2)c1
InChIInChI=1S/C25H19FN4O2S/c1-14-2-7-20(26)21(10-14)30-25(31)29-17-5-3-15(4-6-17)19-13-33-23-18(16-8-9-32-12-16)11-28-24(27)22(19)23/h2-13H,1H3,(H2,27,28)(H2,29,30,31)
InChIKeyDNFPECRHWDYYQD-UHFFFAOYSA-N
XLogP6.90
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 56.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The IUPAC name of 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea (CID 18451196) is 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea.
What is the SMILES notation for 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The canonical SMILES for 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea is Cc1ccc(F)c(NC(=O)Nc2ccc(-c3csc4c(-c5ccoc5)cnc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The InChIKey is DNFPECRHWDYYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2S/c1-14-2-7-20(26)21(10-14)30-25(31)29-17-5-3-15(4-6-17)19-13-33-23-18(16-8-9-32-12-16)11-28-24(27)22(19)23/h2-13H,1H3,(H2,27,28)(H2,29,30,31).
What are the key properties of 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea?
1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea has a molecular weight of 458.52 g/mol, XLogP of 6.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea is sourced from PubChem (CID 18451196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).