1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea

C24H17FN4OS2 — CID 174495323

IUPAC1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea
SMILESNC(=O)N(c1ccc(-c2csc3c(-c4ccsc4)cnc(N)c23)cc1)c1cccc(F)c1
InChIInChI=1S/C24H17FN4OS2/c25-16-2-1-3-18(10-16)29(24(27)30)17-6-4-14(5-7-17)20-13-32-22-19(15-8-9-31-12-15)11-28-23(26)21(20)22/h1-13H,(H2,26,28)(H2,27,30)
InChIKeyBLGFGWNEWOZQNU-UHFFFAOYSA-N
MW460.56 g/mol
LogP6.63
Rot. Bonds4

About 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea

1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea (PubChem CID 174495323) has the molecular formula C24H17FN4OS2 and a molecular weight of 460.56 g/mol. Its IUPAC name is 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea
PubChem CID174495323
Molecular FormulaC24H17FN4OS2
Molecular Weight460.56 g/mol
Exact Mass460.08
IUPAC Name1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea
SMILESNC(=O)N(c1ccc(-c2csc3c(-c4ccsc4)cnc(N)c23)cc1)c1cccc(F)c1
InChIInChI=1S/C24H17FN4OS2/c25-16-2-1-3-18(10-16)29(24(27)30)17-6-4-14(5-7-17)20-13-32-22-19(15-8-9-31-12-15)11-28-23(26)21(20)22/h1-13H,(H2,26,28)(H2,27,30)
InChIKeyBLGFGWNEWOZQNU-UHFFFAOYSA-N
XLogP6.63
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea
CID 174509720
1-[4-[4-amino-7-(2-methoxypyrimidin-5-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-1-(3-chlorophenyl)urea
CID 174509710
1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 18451329
1-[3-(aminomethyl)phenyl]-1-[4-(4-amino-7-pent-1-ynylthieno[3,2-c]pyridin-3-yl)phenyl]urea
CID 174495259
1-[5-(aminomethyl)-2-fluorophenyl]-1-[4-[4-amino-7-(4-methylsulfonylphenyl)thieno[3,2-c]pyridin-3-yl]phenyl]urea
CID 174509662
1-[4-[4-amino-7-(1-ethylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea
CID 168972856
1-[4-[4-amino-7-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea
CID 70681377
1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea;propanedioic acid
CID 54759634
1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 54759635
1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 59823462
1-[4-[4-amino-7-(3-aminophenyl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 18451144
1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea
CID 18451197

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea?
The IUPAC name of 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea (CID 174495323) is 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea?
The canonical SMILES for 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea is NC(=O)N(c1ccc(-c2csc3c(-c4ccsc4)cnc(N)c23)cc1)c1cccc(F)c1.
What is the InChIKey of 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea?
The InChIKey is BLGFGWNEWOZQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4OS2/c25-16-2-1-3-18(10-16)29(24(27)30)17-6-4-14(5-7-17)20-13-32-22-19(15-8-9-31-12-15)11-28-23(26)21(20)22/h1-13H,(H2,26,28)(H2,27,30).
What are the key properties of 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea?
1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea has a molecular weight of 460.56 g/mol, XLogP of 6.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-7-thiophen-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-1-(3-fluorophenyl)urea is sourced from PubChem (CID 174495323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).