1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

C23H24N6O — CID 44522330

IUPAC1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESO=C(CCn1cncn1)N1CCCC(c2[nH]c3ccccc3c2-c2ccncc2)C1
InChIInChI=1S/C23H24N6O/c30-21(9-13-29-16-25-15-26-29)28-12-3-4-18(14-28)23-22(17-7-10-24-11-8-17)19-5-1-2-6-20(19)27-23/h1-2,5-8,10-11,15-16,18,27H,3-4,9,12-14H2
InChIKeyYTDOMTWMHZZZPC-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.62
Rot. Bonds5

About 1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 44522330) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID44522330
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESO=C(CCn1cncn1)N1CCCC(c2[nH]c3ccccc3c2-c2ccncc2)C1
InChIInChI=1S/C23H24N6O/c30-21(9-13-29-16-25-15-26-29)28-12-3-4-18(14-28)23-22(17-7-10-24-11-8-17)19-5-1-2-6-20(19)27-23/h1-2,5-8,10-11,15-16,18,27H,3-4,9,12-14H2
InChIKeyYTDOMTWMHZZZPC-UHFFFAOYSA-N
XLogP3.62
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (CID 44522330) is 1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is O=C(CCn1cncn1)N1CCCC(c2[nH]c3ccccc3c2-c2ccncc2)C1.
What is the InChIKey of 1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is YTDOMTWMHZZZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c30-21(9-13-29-16-25-15-26-29)28-12-3-4-18(14-28)23-22(17-7-10-24-11-8-17)19-5-1-2-6-20(19)27-23/h1-2,5-8,10-11,15-16,18,27H,3-4,9,12-14H2.
What are the key properties of 1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 400.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 44522330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).