N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide

About N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide

N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide (PubChem CID 18450980) has the molecular formula C32H33N7O3S and a molecular weight of 595.73 g/mol. Its IUPAC name is N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name	N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
PubChem CID	18450980
Molecular Formula	C32H33N7O3S
Molecular Weight	595.73 g/mol
Exact Mass	595.24
IUPAC Name	N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
SMILES	COc1cc(-c2csc3c(/C=C/CNCCN4CCNC4=O)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChI	InChI=1S/C32H33N7O3S/c1-38-25-8-4-3-6-21(25)16-26(38)31(40)37-24-10-9-20(17-27(24)42-2)23-19-43-29-22(18-36-30(33)28(23)29)7-5-11-34-12-14-39-15-13-35-32(39)41/h3-10,16-19,34H,11-15H2,1-2H3,(H2,33,36)(H,35,41)(H,37,40)/b7-5+
InChIKey	GPBZGPKVRJKQMQ-FNORWQNLSA-N
XLogP	4.93
TPSA	126.54 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	10
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.73
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?

The IUPAC name of N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide (CID 18450980) is N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide.

What is the SMILES notation for N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?

The canonical SMILES for N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide is COc1cc(-c2csc3c(/C=C/CNCCN4CCNC4=O)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C.

What is the InChIKey of N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?

The InChIKey is GPBZGPKVRJKQMQ-FNORWQNLSA-N. The full InChI is InChI=1S/C32H33N7O3S/c1-38-25-8-4-3-6-21(25)16-26(38)31(40)37-24-10-9-20(17-27(24)42-2)23-19-43-29-22(18-36-30(33)28(23)29)7-5-11-34-12-14-39-15-13-35-32(39)41/h3-10,16-19,34H,11-15H2,1-2H3,(H2,33,36)(H,35,41)(H,37,40)/b7-5+.

What are the key properties of N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?

N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide has a molecular weight of 595.73 g/mol, XLogP of 4.93, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-amino-7-[(E)-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 18450980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).