2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

C25H20N4O3S — CID 66606010

IUPAC2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc3sccc3c2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C25H20N4O3S/c26-24(30)18-13-19(14-2-4-21-15(11-14)5-10-33-21)27-22-17-3-1-16(12-20(17)28-23(18)22)25(31)29-6-8-32-9-7-29/h1-5,10-13,28H,6-9H2,(H2,26,30)
InChIKeyIXBFYCPOZYPTGD-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.17
Rot. Bonds3

About 2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66606010) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66606010
Molecular FormulaC25H20N4O3S
Molecular Weight456.53 g/mol
Exact Mass456.13
IUPAC Name2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc3sccc3c2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C25H20N4O3S/c26-24(30)18-13-19(14-2-4-21-15(11-14)5-10-33-21)27-22-17-3-1-16(12-20(17)28-23(18)22)25(31)29-6-8-32-9-7-29/h1-5,10-13,28H,6-9H2,(H2,26,30)
InChIKeyIXBFYCPOZYPTGD-UHFFFAOYSA-N
XLogP4.17
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66606010) is 2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2ccc3sccc3c2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of 2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is IXBFYCPOZYPTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S/c26-24(30)18-13-19(14-2-4-21-15(11-14)5-10-33-21)27-22-17-3-1-16(12-20(17)28-23(18)22)25(31)29-6-8-32-9-7-29/h1-5,10-13,28H,6-9H2,(H2,26,30).
What are the key properties of 2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 456.53 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66606010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).