4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one

C23H20N4O2 — CID 22607605

IUPAC4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one
SMILESNC(COc1cncc(C#Cc2cc[nH]c(=O)c2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H20N4O2/c24-19(11-18-13-27-22-4-2-1-3-21(18)22)15-29-20-9-17(12-25-14-20)6-5-16-7-8-26-23(28)10-16/h1-4,7-10,12-14,19,27H,11,15,24H2,(H,26,28)
InChIKeyPYGKTMZJCSEYOV-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.60
Rot. Bonds5

About 4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one

4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one (PubChem CID 22607605) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one
PubChem CID22607605
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one
SMILESNC(COc1cncc(C#Cc2cc[nH]c(=O)c2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H20N4O2/c24-19(11-18-13-27-22-4-2-1-3-21(18)22)15-29-20-9-17(12-25-14-20)6-5-16-7-8-26-23(28)10-16/h1-4,7-10,12-14,19,27H,11,15,24H2,(H,26,28)
InChIKeyPYGKTMZJCSEYOV-UHFFFAOYSA-N
XLogP2.60
TPSA96.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one with MolForge

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Related Compounds

4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid
CID 22607536
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1H-indole-2,3-dione
CID 23647542
(2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-2-ylethenyl]-3-pyridinyl]oxy]propan-2-amine
CID 10287078
(2S)-1-[[5-(2H-benzotriazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
CID 20744785
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 23647541
(2R)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]propan-2-amine
CID 10194205
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-1,3-dihydroindol-2-one
CID 10237631
5-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-2,3-dihydroisoindol-1-one
CID 22607306
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
CID 10172943
(3Z)-5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-(pyridin-2-ylmethylidene)-1H-indol-2-one
CID 23647560
(2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine
CID 10150682
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-pyridin-4-ylisoquinolin-6-yl)-3-pyridinyl]oxy]propan-2-amine
CID 23647587

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one (CID 22607605) is 4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one is NC(COc1cncc(C#Cc2cc[nH]c(=O)c2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one?
The InChIKey is PYGKTMZJCSEYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c24-19(11-18-13-27-22-4-2-1-3-21(18)22)15-29-20-9-17(12-25-14-20)6-5-16-7-8-26-23(28)10-16/h1-4,7-10,12-14,19,27H,11,15,24H2,(H,26,28).
What are the key properties of 4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one?
4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one has a molecular weight of 384.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]ethynyl]-1H-pyridin-2-one is sourced from PubChem (CID 22607605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).