4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one

C22H24N6O — CID 16670545

IUPAC4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCC(n2nnc3cccnc32)CC1
InChIInChI=1S/C22H24N6O/c29-21(9-3-5-16-15-24-19-7-2-1-6-18(16)19)27-13-10-17(11-14-27)28-22-20(25-26-28)8-4-12-23-22/h1-2,4,6-8,12,15,17,24H,3,5,9-11,13-14H2
InChIKeyXWDJEFIDSCBNMT-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.49
Rot. Bonds5

About 4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one

4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one (PubChem CID 16670545) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
PubChem CID16670545
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCC(n2nnc3cccnc32)CC1
InChIInChI=1S/C22H24N6O/c29-21(9-3-5-16-15-24-19-7-2-1-6-18(16)19)27-13-10-17(11-14-27)28-22-20(25-26-28)8-4-12-23-22/h1-2,4,6-8,12,15,17,24H,3,5,9-11,13-14H2
InChIKeyXWDJEFIDSCBNMT-UHFFFAOYSA-N
XLogP3.49
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

1-[4-(2-cyclobutylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42362458
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
CID 35512444
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
CID 155983427
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 32530640
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 33120411
1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 51332191

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one (CID 16670545) is 4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one is O=C(CCCc1c[nH]c2ccccc12)N1CCC(n2nnc3cccnc32)CC1.
What is the InChIKey of 4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one?
The InChIKey is XWDJEFIDSCBNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c29-21(9-3-5-16-15-24-19-7-2-1-6-18(16)19)27-13-10-17(11-14-27)28-22-20(25-26-28)8-4-12-23-22/h1-2,4,6-8,12,15,17,24H,3,5,9-11,13-14H2.
What are the key properties of 4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one?
4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one has a molecular weight of 388.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-1-[4-(triazolo[4,5-b]pyridin-3-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 16670545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).