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

C26H23N5O3 — CID 66605020

IUPAC2-(1-methylindol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCn1ccc2cc(-c3cc(C(N)=O)c4[nH]c5cc(C(=O)N6CCOCC6)ccc5c4n3)ccc21
InChIInChI=1S/C26H23N5O3/c1-30-7-6-16-12-15(3-5-22(16)30)20-14-19(25(27)32)24-23(28-20)18-4-2-17(13-21(18)29-24)26(33)31-8-10-34-11-9-31/h2-7,12-14,29H,8-11H2,1H3,(H2,27,32)
InChIKeyGRUXSNQAQRIXJV-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.45
Rot. Bonds3

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

2-(1-methylindol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66605020) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-(1-methylindol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylindol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66605020
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name2-(1-methylindol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCn1ccc2cc(-c3cc(C(N)=O)c4[nH]c5cc(C(=O)N6CCOCC6)ccc5c4n3)ccc21
InChIInChI=1S/C26H23N5O3/c1-30-7-6-16-12-15(3-5-22(16)30)20-14-19(25(27)32)24-23(28-20)18-4-2-17(13-21(18)29-24)26(33)31-8-10-34-11-9-31/h2-7,12-14,29H,8-11H2,1H3,(H2,27,32)
InChIKeyGRUXSNQAQRIXJV-UHFFFAOYSA-N
XLogP3.45
TPSA106.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(1-methylindol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66605020) is 2-(1-methylindol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(1-methylindol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(1-methylindol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is Cn1ccc2cc(-c3cc(C(N)=O)c4[nH]c5cc(C(=O)N6CCOCC6)ccc5c4n3)ccc21.
What is the InChIKey of 2-(1-methylindol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is GRUXSNQAQRIXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-30-7-6-16-12-15(3-5-22(16)30)20-14-19(25(27)32)24-23(28-20)18-4-2-17(13-21(18)29-24)26(33)31-8-10-34-11-9-31/h2-7,12-14,29H,8-11H2,1H3,(H2,27,32).
What are the key properties of 2-(1-methylindol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(1-methylindol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-5-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66605020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).