4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide

C23H27ClN4O2 — CID 18832881

IUPAC4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NCCN1CCOCC1
InChIInChI=1S/C23H27ClN4O2/c24-17-7-8-20-19(16-17)18(23(27-20)21-5-1-2-9-25-21)4-3-6-22(29)26-10-11-28-12-14-30-15-13-28/h1-2,5,7-9,16,27H,3-4,6,10-15H2,(H,26,29)
InChIKeyOVDJOFRQGNAOQN-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.65
Rot. Bonds8

About 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide

4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 18832881) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID18832881
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NCCN1CCOCC1
InChIInChI=1S/C23H27ClN4O2/c24-17-7-8-20-19(16-17)18(23(27-20)21-5-1-2-9-25-21)4-3-6-22(29)26-10-11-28-12-14-30-15-13-28/h1-2,5,7-9,16,27H,3-4,6,10-15H2,(H,26,29)
InChIKeyOVDJOFRQGNAOQN-UHFFFAOYSA-N
XLogP3.65
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide with MolForge

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Related Compounds

1-(azepan-1-yl)-4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
CID 18832956
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide
CID 18832998
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide
CID 18832951
N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832762
N-butyl-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833140
N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832794
N-(2,5-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827506
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide
CID 18832923
N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827573
N-(furan-2-ylmethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832771
N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833233
4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 3148041

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide (CID 18832881) is 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide is O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NCCN1CCOCC1.
What is the InChIKey of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is OVDJOFRQGNAOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c24-17-7-8-20-19(16-17)18(23(27-20)21-5-1-2-9-25-21)4-3-6-22(29)26-10-11-28-12-14-30-15-13-28/h1-2,5,7-9,16,27H,3-4,6,10-15H2,(H,26,29).
What are the key properties of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide?
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 426.95 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 18832881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).