8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one

C27H23N3O2 — CID 44562387

IUPAC8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ccnc(-c4ccc5cc[nH]c5c4)c3)cccc12
InChIInChI=1S/C27H23N3O2/c31-25-17-26(30-13-2-1-3-14-30)32-27-21(5-4-6-22(25)27)19-10-12-29-24(15-19)20-8-7-18-9-11-28-23(18)16-20/h4-12,15-17,28H,1-3,13-14H2
InChIKeyDTDQNGGFAPBKTF-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.99
Rot. Bonds3

About 8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one

8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one (PubChem CID 44562387) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one.

Molecular Properties

Compound Name8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one
PubChem CID44562387
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ccnc(-c4ccc5cc[nH]c5c4)c3)cccc12
InChIInChI=1S/C27H23N3O2/c31-25-17-26(30-13-2-1-3-14-30)32-27-21(5-4-6-22(25)27)19-10-12-29-24(15-19)20-8-7-18-9-11-28-23(18)16-20/h4-12,15-17,28H,1-3,13-14H2
InChIKeyDTDQNGGFAPBKTF-UHFFFAOYSA-N
XLogP5.99
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one?
The IUPAC name of 8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one (CID 44562387) is 8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one.
What is the SMILES notation for 8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one?
The canonical SMILES for 8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one is O=c1cc(N2CCCCC2)oc2c(-c3ccnc(-c4ccc5cc[nH]c5c4)c3)cccc12.
What is the InChIKey of 8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one?
The InChIKey is DTDQNGGFAPBKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c31-25-17-26(30-13-2-1-3-14-30)32-27-21(5-4-6-22(25)27)19-10-12-29-24(15-19)20-8-7-18-9-11-28-23(18)16-20/h4-12,15-17,28H,1-3,13-14H2.
What are the key properties of 8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one?
8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one has a molecular weight of 421.50 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(1H-indol-6-yl)-4-pyridinyl]-2-piperidin-1-ylchromen-4-one is sourced from PubChem (CID 44562387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).