4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide

C25H21N5O3S — CID 18450829

IUPAC4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCOc1cc(-c2csc3c(C(N)=O)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C25H21N5O3S/c1-30-18-6-4-3-5-14(18)9-19(30)25(32)29-17-8-7-13(10-20(17)33-2)16-12-34-22-15(24(27)31)11-28-23(26)21(16)22/h3-12H,1-2H3,(H2,26,28)(H2,27,31)(H,29,32)
InChIKeyZDVCYYIVZCYZRL-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.40
Rot. Bonds5

About 4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide

4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 18450829) has the molecular formula C25H21N5O3S and a molecular weight of 471.54 g/mol. Its IUPAC name is 4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID18450829
Molecular FormulaC25H21N5O3S
Molecular Weight471.54 g/mol
Exact Mass471.14
IUPAC Name4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCOc1cc(-c2csc3c(C(N)=O)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C25H21N5O3S/c1-30-18-6-4-3-5-14(18)9-19(30)25(32)29-17-8-7-13(10-20(17)33-2)16-12-34-22-15(24(27)31)11-28-23(26)21(16)22/h3-12H,1-2H3,(H2,26,28)(H2,27,31)(H,29,32)
InChIKeyZDVCYYIVZCYZRL-UHFFFAOYSA-N
XLogP4.40
TPSA125.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide 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 4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide (CID 18450829) is 4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide is COc1cc(-c2csc3c(C(N)=O)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C.
What is the InChIKey of 4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is ZDVCYYIVZCYZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3S/c1-30-18-6-4-3-5-14(18)9-19(30)25(32)29-17-8-7-13(10-20(17)33-2)16-12-34-22-15(24(27)31)11-28-23(26)21(16)22/h3-12H,1-2H3,(H2,26,28)(H2,27,31)(H,29,32).
What are the key properties of 4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide?
4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 18450829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).