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

C28H26N6OS — CID 174509720

IUPAC1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea
SMILESNCc1cccc(-c2cnc(N)c3c(-c4ccc(N(C(N)=O)c5cccc(CN)c5)cc4)csc23)c1
InChIInChI=1S/C28H26N6OS/c29-13-17-3-1-5-20(11-17)23-15-33-27(31)25-24(16-36-26(23)25)19-7-9-21(10-8-19)34(28(32)35)22-6-2-4-18(12-22)14-30/h1-12,15-16H,13-14,29-30H2,(H2,31,33)(H2,32,35)
InChIKeyCSKLPRFKMLNJDU-UHFFFAOYSA-N
MW494.62 g/mol
LogP5.35
Rot. Bonds6

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

1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea (PubChem CID 174509720) has the molecular formula C28H26N6OS and a molecular weight of 494.62 g/mol. Its IUPAC name is 1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea
PubChem CID174509720
Molecular FormulaC28H26N6OS
Molecular Weight494.62 g/mol
Exact Mass494.19
IUPAC Name1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea
SMILESNCc1cccc(-c2cnc(N)c3c(-c4ccc(N(C(N)=O)c5cccc(CN)c5)cc4)csc23)c1
InChIInChI=1S/C28H26N6OS/c29-13-17-3-1-5-20(11-17)23-15-33-27(31)25-24(16-36-26(23)25)19-7-9-21(10-8-19)34(28(32)35)22-6-2-4-18(12-22)14-30/h1-12,15-16H,13-14,29-30H2,(H2,31,33)(H2,32,35)
InChIKeyCSKLPRFKMLNJDU-UHFFFAOYSA-N
XLogP5.35
TPSA137.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.62
LogP ≤ 55.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea?
The IUPAC name of 1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea (CID 174509720) is 1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea.
What is the SMILES notation for 1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea?
The canonical SMILES for 1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea is NCc1cccc(-c2cnc(N)c3c(-c4ccc(N(C(N)=O)c5cccc(CN)c5)cc4)csc23)c1.
What is the InChIKey of 1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea?
The InChIKey is CSKLPRFKMLNJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6OS/c29-13-17-3-1-5-20(11-17)23-15-33-27(31)25-24(16-36-26(23)25)19-7-9-21(10-8-19)34(28(32)35)22-6-2-4-18(12-22)14-30/h1-12,15-16H,13-14,29-30H2,(H2,31,33)(H2,32,35).
What are the key properties of 1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea?
1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea has a molecular weight of 494.62 g/mol, XLogP of 5.35, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-amino-7-[3-(aminomethyl)phenyl]thieno[3,2-c]pyridin-3-yl]phenyl]-1-[3-(aminomethyl)phenyl]urea is sourced from PubChem (CID 174509720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).