2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone

C25H31FN4O — CID 134329858

IUPAC2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
SMILESCC(C)c1c(-c2ccnc(F)c2)[nH]c2ccc(C3CCN(C(=O)CN(C)C)CC3)cc12
InChIInChI=1S/C25H31FN4O/c1-16(2)24-20-13-18(17-8-11-30(12-9-17)23(31)15-29(3)4)5-6-21(20)28-25(24)19-7-10-27-22(26)14-19/h5-7,10,13-14,16-17,28H,8-9,11-12,15H2,1-4H3
InChIKeyUKDZAUAFMJTJNL-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.76
Rot. Bonds5

About 2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone

2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone (PubChem CID 134329858) has the molecular formula C25H31FN4O and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
PubChem CID134329858
Molecular FormulaC25H31FN4O
Molecular Weight422.55 g/mol
Exact Mass422.25
IUPAC Name2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
SMILESCC(C)c1c(-c2ccnc(F)c2)[nH]c2ccc(C3CCN(C(=O)CN(C)C)CC3)cc12
InChIInChI=1S/C25H31FN4O/c1-16(2)24-20-13-18(17-8-11-30(12-9-17)23(31)15-29(3)4)5-6-21(20)28-25(24)19-7-10-27-22(26)14-19/h5-7,10,13-14,16-17,28H,8-9,11-12,15H2,1-4H3
InChIKeyUKDZAUAFMJTJNL-UHFFFAOYSA-N
XLogP4.76
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone (CID 134329858) is 2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone is CC(C)c1c(-c2ccnc(F)c2)[nH]c2ccc(C3CCN(C(=O)CN(C)C)CC3)cc12.
What is the InChIKey of 2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is UKDZAUAFMJTJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O/c1-16(2)24-20-13-18(17-8-11-30(12-9-17)23(31)15-29(3)4)5-6-21(20)28-25(24)19-7-10-27-22(26)14-19/h5-7,10,13-14,16-17,28H,8-9,11-12,15H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 422.55 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[2-(2-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134329858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).