N-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide

C28H29N5O3 — CID 175122999

IUPACN-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccc2c(-c3ccc(C4CNCCO4)nc3)c[nH]c2c1
InChIInChI=1S/C28H29N5O3/c34-28(33-21-5-1-18(2-6-21)26-16-29-9-11-35-26)19-3-7-22-23(15-32-25(22)13-19)20-4-8-24(31-14-20)27-17-30-10-12-36-27/h1-8,13-15,26-27,29-30,32H,9-12,16-17H2,(H,33,34)
InChIKeyWUFDLVIXXJVZBJ-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.80
Rot. Bonds5

About N-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide

N-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide (PubChem CID 175122999) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide
PubChem CID175122999
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC NameN-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccc2c(-c3ccc(C4CNCCO4)nc3)c[nH]c2c1
InChIInChI=1S/C28H29N5O3/c34-28(33-21-5-1-18(2-6-21)26-16-29-9-11-35-26)19-3-7-22-23(15-32-25(22)13-19)20-4-8-24(31-14-20)27-17-30-10-12-36-27/h1-8,13-15,26-27,29-30,32H,9-12,16-17H2,(H,33,34)
InChIKeyWUFDLVIXXJVZBJ-UHFFFAOYSA-N
XLogP3.80
TPSA100.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide (CID 175122999) is N-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc2c(-c3ccc(C4CNCCO4)nc3)c[nH]c2c1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide?
The InChIKey is WUFDLVIXXJVZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c34-28(33-21-5-1-18(2-6-21)26-16-29-9-11-35-26)19-3-7-22-23(15-32-25(22)13-19)20-4-8-24(31-14-20)27-17-30-10-12-36-27/h1-8,13-15,26-27,29-30,32H,9-12,16-17H2,(H,33,34).
What are the key properties of N-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide?
N-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 3.80, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 175122999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).