7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one

C24H27N7O — CID 166082777

IUPAC7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
SMILES[2H]c1cc2cc(N3CCN(Cc4cnc5cc(CC)c(=O)[nH]c5c4)CC3)cnc2c(NC)n1
InChIInChI=1S/C24H27N7O/c1-3-17-12-20-21(29-24(17)32)10-16(13-27-20)15-30-6-8-31(9-7-30)19-11-18-4-5-26-23(25-2)22(18)28-14-19/h4-5,10-14H,3,6-9,15H2,1-2H3,(H,25,26)(H,29,32)/i5D
InChIKeyRLNNRJHAIFVURX-UICOGKGYSA-N
MW430.53 g/mol
LogP2.79
Rot. Bonds5

About 7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one

7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one (PubChem CID 166082777) has the molecular formula C24H27N7O and a molecular weight of 430.53 g/mol. Its IUPAC name is 7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
PubChem CID166082777
Molecular FormulaC24H27N7O
Molecular Weight430.53 g/mol
Exact Mass430.23
IUPAC Name7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
SMILES[2H]c1cc2cc(N3CCN(Cc4cnc5cc(CC)c(=O)[nH]c5c4)CC3)cnc2c(NC)n1
InChIInChI=1S/C24H27N7O/c1-3-17-12-20-21(29-24(17)32)10-16(13-27-20)15-30-6-8-31(9-7-30)19-11-18-4-5-26-23(25-2)22(18)28-14-19/h4-5,10-14H,3,6-9,15H2,1-2H3,(H,25,26)(H,29,32)/i5D
InChIKeyRLNNRJHAIFVURX-UICOGKGYSA-N
XLogP2.79
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
The IUPAC name of 7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one (CID 166082777) is 7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one is [2H]c1cc2cc(N3CCN(Cc4cnc5cc(CC)c(=O)[nH]c5c4)CC3)cnc2c(NC)n1.
What is the InChIKey of 7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
The InChIKey is RLNNRJHAIFVURX-UICOGKGYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-3-17-12-20-21(29-24(17)32)10-16(13-27-20)15-30-6-8-31(9-7-30)19-11-18-4-5-26-23(25-2)22(18)28-14-19/h4-5,10-14H,3,6-9,15H2,1-2H3,(H,25,26)(H,29,32)/i5D.
What are the key properties of 7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one?
7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one has a molecular weight of 430.53 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[6-deuterio-8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 166082777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).