1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone

C21H19N5O — CID 155951108

IUPAC1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(c2ccnc3ccncc23)CC1
InChIInChI=1S/C21H19N5O/c27-21(19-13-15-3-1-2-4-17(15)24-19)26-11-9-25(10-12-26)20-6-8-23-18-5-7-22-14-16(18)20/h1-8,13-14,24H,9-12H2
InChIKeyUSEQGLMLLKRSEV-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.07
Rot. Bonds2

About 1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone

1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone (PubChem CID 155951108) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone
PubChem CID155951108
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(c2ccnc3ccncc23)CC1
InChIInChI=1S/C21H19N5O/c27-21(19-13-15-3-1-2-4-17(15)24-19)26-11-9-25(10-12-26)20-6-8-23-18-5-7-22-14-16(18)20/h1-8,13-14,24H,9-12H2
InChIKeyUSEQGLMLLKRSEV-UHFFFAOYSA-N
XLogP3.07
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone (CID 155951108) is 1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(c2ccnc3ccncc23)CC1.
What is the InChIKey of 1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone?
The InChIKey is USEQGLMLLKRSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c27-21(19-13-15-3-1-2-4-17(15)24-19)26-11-9-25(10-12-26)20-6-8-23-18-5-7-22-14-16(18)20/h1-8,13-14,24H,9-12H2.
What are the key properties of 1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone?
1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone has a molecular weight of 357.42 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 155951108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).