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

C25H20N4O2S — CID 18451200

IUPAC1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5ccoc5)cnc(N)c34)cc2)c1
InChIInChI=1S/C25H20N4O2S/c1-15-3-2-4-19(11-15)29-25(30)28-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-31-13-17)12-27-24(26)22(21)23/h2-14H,1H3,(H2,26,27)(H2,28,29,30)
InChIKeyGBOGGRLNGKRGBK-UHFFFAOYSA-N
MW440.53 g/mol
LogP6.76
Rot. Bonds4

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

1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea (PubChem CID 18451200) has the molecular formula C25H20N4O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
PubChem CID18451200
Molecular FormulaC25H20N4O2S
Molecular Weight440.53 g/mol
Exact Mass440.13
IUPAC Name1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5ccoc5)cnc(N)c34)cc2)c1
InChIInChI=1S/C25H20N4O2S/c1-15-3-2-4-19(11-15)29-25(30)28-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-31-13-17)12-27-24(26)22(21)23/h2-14H,1H3,(H2,26,27)(H2,28,29,30)
InChIKeyGBOGGRLNGKRGBK-UHFFFAOYSA-N
XLogP6.76
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 56.76
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
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
1-[4-[4-Amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea
CID 18451199
(2S)-1-N-[6-tert-butyl-7-(furan-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596444
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
1-[4-[4-Amino-7-(6-methoxypyridin-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 11272608
Ethyl 4-amino-3-[[3-[(4-fluorophenyl)carbamoyl]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
CID 16050700
1-[4-[4-Amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 18451196
1-[4-[4-Amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 18451201
1-[4-[4-Amino-7-(6-methoxy-3-pyridinyl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 18451284
Ethyl 4-amino-3-[[3-[(4-fluorobenzoyl)amino]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
CID 58832874

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-methylphenyl)urea?
The IUPAC name of 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea (CID 18451200) is 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-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-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea is Cc1cccc(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-(3-methylphenyl)urea?
The InChIKey is GBOGGRLNGKRGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2S/c1-15-3-2-4-19(11-15)29-25(30)28-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-31-13-17)12-27-24(26)22(21)23/h2-14H,1H3,(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-methylphenyl)urea?
1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea has a molecular weight of 440.53 g/mol, XLogP of 6.76, 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-methylphenyl)urea is sourced from PubChem (CID 18451200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).