N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide

C29H24N4O4S — CID 18451278

IUPACN-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
SMILESCOc1cc(-c2csc3c(-c4ccc(CO)o4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C29H24N4O4S/c1-33-22-6-4-3-5-17(22)11-23(33)29(35)32-21-9-7-16(12-25(21)36-2)20-15-38-27-19(13-31-28(30)26(20)27)24-10-8-18(14-34)37-24/h3-13,15,34H,14H2,1-2H3,(H2,30,31)(H,32,35)
InChIKeySTVFOBWATVLCEN-UHFFFAOYSA-N
MW524.60 g/mol
LogP6.05
Rot. Bonds6

About N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide

N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide (PubChem CID 18451278) has the molecular formula C29H24N4O4S and a molecular weight of 524.60 g/mol. Its IUPAC name is N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
PubChem CID18451278
Molecular FormulaC29H24N4O4S
Molecular Weight524.60 g/mol
Exact Mass524.15
IUPAC NameN-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
SMILESCOc1cc(-c2csc3c(-c4ccc(CO)o4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C29H24N4O4S/c1-33-22-6-4-3-5-17(22)11-23(33)29(35)32-21-9-7-16(12-25(21)36-2)20-15-38-27-19(13-31-28(30)26(20)27)24-10-8-18(14-34)37-24/h3-13,15,34H,14H2,1-2H3,(H2,30,31)(H,32,35)
InChIKeySTVFOBWATVLCEN-UHFFFAOYSA-N
XLogP6.05
TPSA115.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.60
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[4-amino-7-[4-(hydroxymethyl)phenyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 18451248
N-[4-[4-amino-7-(3-amino-3-oxoprop-1-enyl)thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 69280449
4-amino-N-(2,2-dimethoxyethyl)-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 18450840
N-[4-[4-amino-7-[(E)-3-(methanesulfonamido)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 18451049
4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]-N-(piperidin-2-ylmethyl)thieno[3,2-c]pyridine-7-carboxamide
CID 18450822
N-[4-[4-amino-7-[3-(2,3-dihydroxypropylamino)-3-oxoprop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 69280260
N-[4-[4-amino-7-[(E)-3-(pyridin-2-ylmethylamino)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 18450987
N-[4-[4-amino-7-[(E)-3-[4-(2-hydroxyethyl)piperidin-1-yl]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 18451006
N-[4-[4-amino-7-[3-(4-phenylpiperazin-1-yl)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 68677518
N-[4-[4-amino-7-[3-[3-(methylamino)propylamino]-3-oxoprop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 69283844
4-amino-N-(2,2-dimethoxyethyl)-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]-N-(2-oxoethyl)thieno[3,2-c]pyridine-7-carboxamide
CID 87933641
N-[4-[4-amino-7-[(E)-3-[[(2S)-2-(dimethylamino)propyl]amino]-3-oxoprop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 69280534

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide (CID 18451278) is N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide is COc1cc(-c2csc3c(-c4ccc(CO)o4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C.
What is the InChIKey of N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?
The InChIKey is STVFOBWATVLCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O4S/c1-33-22-6-4-3-5-17(22)11-23(33)29(35)32-21-9-7-16(12-25(21)36-2)20-15-38-27-19(13-31-28(30)26(20)27)24-10-8-18(14-34)37-24/h3-13,15,34H,14H2,1-2H3,(H2,30,31)(H,32,35).
What are the key properties of N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?
N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide has a molecular weight of 524.60 g/mol, XLogP of 6.05, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-7-[5-(hydroxymethyl)furan-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 18451278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).