2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde

C23H28FN3O — CID 166655579

IUPAC2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde
SMILESCC(C)c1c(C2=CNCC(F)=C2)[nH]c2ccc(C3CCN(CC=O)CC3)cc12
InChIInChI=1S/C23H28FN3O/c1-15(2)22-20-12-17(16-5-7-27(8-6-16)9-10-28)3-4-21(20)26-23(22)18-11-19(24)14-25-13-18/h3-4,10-13,15-16,25-26H,5-9,14H2,1-2H3
InChIKeyMFIVVILYGFAGQC-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.47
Rot. Bonds5

About 2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde

2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde (PubChem CID 166655579) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde
PubChem CID166655579
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde
SMILESCC(C)c1c(C2=CNCC(F)=C2)[nH]c2ccc(C3CCN(CC=O)CC3)cc12
InChIInChI=1S/C23H28FN3O/c1-15(2)22-20-12-17(16-5-7-27(8-6-16)9-10-28)3-4-21(20)26-23(22)18-11-19(24)14-25-13-18/h3-4,10-13,15-16,25-26H,5-9,14H2,1-2H3
InChIKeyMFIVVILYGFAGQC-UHFFFAOYSA-N
XLogP4.47
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde
CID 166655588
2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 142594328
2-[4-[2-[(2Z)-1-amino-2-(1-aminoethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594524
1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
CID 137464445
1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-one
CID 159857564
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 134329464
2-(2,6-dimethyl-4-pyridinyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329839
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-(3-hydroxybutyl)acetamide
CID 134329458
acetylene;5-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[(4E)-2-methylhepta-2,4-dien-4-yl]-3-propan-2-yl-1H-indole
CID 142302336
8-methyl-6-[5-[1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 167082320
5-[5-[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,3-dimethylpyridin-2-one
CID 137464654
N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594665

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde?
The IUPAC name of 2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde (CID 166655579) is 2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde is CC(C)c1c(C2=CNCC(F)=C2)[nH]c2ccc(C3CCN(CC=O)CC3)cc12.
What is the InChIKey of 2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde?
The InChIKey is MFIVVILYGFAGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-15(2)22-20-12-17(16-5-7-27(8-6-16)9-10-28)3-4-21(20)26-23(22)18-11-19(24)14-25-13-18/h3-4,10-13,15-16,25-26H,5-9,14H2,1-2H3.
What are the key properties of 2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde?
2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde has a molecular weight of 381.50 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-fluoro-1,2-dihydropyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetaldehyde is sourced from PubChem (CID 166655579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).