2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide

C25H25N5O4S — CID 66604967

IUPAC2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)nc2c1[nH]c1cc(N3CCOCC3=O)ccc12
InChIInChI=1S/C25H25N5O4S/c26-25(32)18-12-20(21-4-2-16(35-21)13-29-5-8-33-9-6-29)28-23-17-3-1-15(11-19(17)27-24(18)23)30-7-10-34-14-22(30)31/h1-4,11-12,27H,5-10,13-14H2,(H2,26,32)
InChIKeyAPJJDWZSLRJAQT-UHFFFAOYSA-N
MW491.57 g/mol
LogP2.74
Rot. Bonds5

About 2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide

2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66604967) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is 2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66604967
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC Name2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)nc2c1[nH]c1cc(N3CCOCC3=O)ccc12
InChIInChI=1S/C25H25N5O4S/c26-25(32)18-12-20(21-4-2-16(35-21)13-29-5-8-33-9-6-29)28-23-17-3-1-15(11-19(17)27-24(18)23)30-7-10-34-14-22(30)31/h1-4,11-12,27H,5-10,13-14H2,(H2,26,32)
InChIKeyAPJJDWZSLRJAQT-UHFFFAOYSA-N
XLogP2.74
TPSA113.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-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 2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66604967) is 2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)nc2c1[nH]c1cc(N3CCOCC3=O)ccc12.
What is the InChIKey of 2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is APJJDWZSLRJAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c26-25(32)18-12-20(21-4-2-16(35-21)13-29-5-8-33-9-6-29)28-23-17-3-1-15(11-19(17)27-24(18)23)30-7-10-34-14-22(30)31/h1-4,11-12,27H,5-10,13-14H2,(H2,26,32).
What are the key properties of 2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-7-(3-oxomorpholin-4-yl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66604967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).