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

C24H19N5O3S — CID 66604693

IUPAC2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc3scnc3c2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C24H19N5O3S/c25-23(30)16-11-17(13-2-4-20-19(9-13)26-12-33-20)27-21-15-3-1-14(10-18(15)28-22(16)21)24(31)29-5-7-32-8-6-29/h1-4,9-12,28H,5-8H2,(H2,25,30)
InChIKeyWVMLAANYFHUCLH-UHFFFAOYSA-N
MW457.52 g/mol
LogP3.56
Rot. Bonds3

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

2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66604693) has the molecular formula C24H19N5O3S and a molecular weight of 457.52 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66604693
Molecular FormulaC24H19N5O3S
Molecular Weight457.52 g/mol
Exact Mass457.12
IUPAC Name2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc3scnc3c2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C24H19N5O3S/c25-23(30)16-11-17(13-2-4-20-19(9-13)26-12-33-20)27-21-15-3-1-14(10-18(15)28-22(16)21)24(31)29-5-7-32-8-6-29/h1-4,9-12,28H,5-8H2,(H2,25,30)
InChIKeyWVMLAANYFHUCLH-UHFFFAOYSA-N
XLogP3.56
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-(7-thiazol-5-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 71517532
2-(5-(morpholinomethyl)thiophen-2-yl)-7-(3-oxomorpholino)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604967
7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605033
2-(1-benzothiophen-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66606010
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(4-(thiazol-5-yl)phenyl)methanone
CID 46880812
3-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66604915
2-[5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]thiophen-2-yl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605598
3-(2-methoxyethylamino)-N-[3-[5-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
CID 155148062
(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-6-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one
CID 90453020
5-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-3-carboxamide
CID 57664430
5-(2-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-3-carboxamide
CID 57664488
3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605383

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66604693) is 2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2ccc3scnc3c2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of 2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is WVMLAANYFHUCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S/c25-23(30)16-11-17(13-2-4-20-19(9-13)26-12-33-20)27-21-15-3-1-14(10-18(15)28-22(16)21)24(31)29-5-7-32-8-6-29/h1-4,9-12,28H,5-8H2,(H2,25,30).
What are the key properties of 2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 457.52 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66604693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).