1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

C24H37N5O2 — CID 57462232

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCOC[C@@H]1CCCN1c1ccc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2
InChIInChI=1S/C24H37N5O2/c1-31-18-21-6-3-10-29(21)23-8-7-19-16-26(11-9-22(19)25-23)17-24(30)28-14-12-27(13-15-28)20-4-2-5-20/h7-8,20-21H,2-6,9-18H2,1H3/t21-/m0/s1
InChIKeyUENDFYJILMMQKQ-NRFANRHFSA-N
MW427.59 g/mol
LogP1.75
Rot. Bonds6

About 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (PubChem CID 57462232) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
PubChem CID57462232
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCOC[C@@H]1CCCN1c1ccc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2
InChIInChI=1S/C24H37N5O2/c1-31-18-21-6-3-10-29(21)23-8-7-19-16-26(11-9-22(19)25-23)17-24(30)28-14-12-27(13-15-28)20-4-2-5-20/h7-8,20-21H,2-6,9-18H2,1H3/t21-/m0/s1
InChIKeyUENDFYJILMMQKQ-NRFANRHFSA-N
XLogP1.75
TPSA52.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (CID 57462232) is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is COC[C@@H]1CCCN1c1ccc2c(n1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The InChIKey is UENDFYJILMMQKQ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-31-18-21-6-3-10-29(21)23-8-7-19-16-26(11-9-22(19)25-23)17-24(30)28-14-12-27(13-15-28)20-4-2-5-20/h7-8,20-21H,2-6,9-18H2,1H3/t21-/m0/s1.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone has a molecular weight of 427.59 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 57462232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).