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

C24H17FN4O2S — CID 18451199

IUPAC1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea
SMILESNc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
InChIInChI=1S/C24H17FN4O2S/c25-16-2-1-3-18(10-16)29-24(30)28-17-6-4-14(5-7-17)20-13-32-22-19(15-8-9-31-12-15)11-27-23(26)21(20)22/h1-13H,(H2,26,27)(H2,28,29,30)
InChIKeyCQBBMNXXVMOFCA-UHFFFAOYSA-N
MW444.49 g/mol
LogP6.59
Rot. Bonds4

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

1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea (PubChem CID 18451199) has the molecular formula C24H17FN4O2S and a molecular weight of 444.49 g/mol. Its IUPAC name is 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea
PubChem CID18451199
Molecular FormulaC24H17FN4O2S
Molecular Weight444.49 g/mol
Exact Mass444.11
IUPAC Name1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea
SMILESNc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
InChIInChI=1S/C24H17FN4O2S/c25-16-2-1-3-18(10-16)29-24(30)28-17-6-4-14(5-7-17)20-13-32-22-19(15-8-9-31-12-15)11-27-23(26)21(20)22/h1-13H,(H2,26,27)(H2,28,29,30)
InChIKeyCQBBMNXXVMOFCA-UHFFFAOYSA-N
XLogP6.59
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 56.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-(Furan-2-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 18450866
1-[4-[4-Amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 18451200
N-[5-(furan-3-yl)-2-pyridinyl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 71601253
1-[4-[4-Amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea
CID 18451197
(2S)-1-N-[2-(3-fluoro-4-pyridinyl)-7-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596646
(2S)-1-N-[7-[4-(aminomethyl)furan-2-yl]-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596664
7-(furan-2-yl)-5-hydroxy-2-methyl-N-(pyridin-2-yl)-4-(thiophen-3-yl)-4,6,7,8-tetrahydroquinoline-3-carboxamide
CID 3164854
N-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide
CID 11683033
Ethyl 4-amino-3-[[3-[(4-fluorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
CID 16050700
4-amino-3-[[3-[(4-fluorophenyl)carbamoyl]phenoxy]methyl]-N-(2-hydroxyethyl)thieno[3,2-c]pyridine-7-carboxamide
CID 16050701
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)thieno[3,2-c]pyridin-4-amine
CID 16222978
1-[4-[4-Amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 18451196

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-(3-fluorophenyl)urea?
The IUPAC name of 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea (CID 18451199) is 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea is Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12.
What is the InChIKey of 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea?
The InChIKey is CQBBMNXXVMOFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2S/c25-16-2-1-3-18(10-16)29-24(30)28-17-6-4-14(5-7-17)20-13-32-22-19(15-8-9-31-12-15)11-27-23(26)21(20)22/h1-13H,(H2,26,27)(H2,28,29,30).
What are the key properties of 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea?
1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea has a molecular weight of 444.49 g/mol, XLogP of 6.59, 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-(3-fluorophenyl)urea is sourced from PubChem (CID 18451199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).