3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one

C25H28N8O — CID 170060553

IUPAC3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4ccc(-c5n[nH]c(C)n5)nc4)[C@@H]4CC[C@@H]43)cc2[nH]c1=O
InChIInChI=1S/C25H28N8O/c1-3-17-11-20-21(29-25(17)34)10-16(12-26-20)14-32-8-9-33(23-7-6-22(23)32)18-4-5-19(27-13-18)24-28-15(2)30-31-24/h4-5,10-13,22-23H,3,6-9,14H2,1-2H3,(H,29,34)(H,28,30,31)/t22-,23+/m0/s1
InChIKeyZSAAKXQVHMDJNL-XZOQPEGZSA-N
MW456.55 g/mol
LogP2.83
Rot. Bonds5

About 3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one

3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one (PubChem CID 170060553) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is 3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one
PubChem CID170060553
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC Name3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCN(c4ccc(-c5n[nH]c(C)n5)nc4)[C@@H]4CC[C@@H]43)cc2[nH]c1=O
InChIInChI=1S/C25H28N8O/c1-3-17-11-20-21(29-25(17)34)10-16(12-26-20)14-32-8-9-33(23-7-6-22(23)32)18-4-5-19(27-13-18)24-28-15(2)30-31-24/h4-5,10-13,22-23H,3,6-9,14H2,1-2H3,(H,29,34)(H,28,30,31)/t22-,23+/m0/s1
InChIKeyZSAAKXQVHMDJNL-XZOQPEGZSA-N
XLogP2.83
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-7-[[(6R)-5-[6-(2-methyl-1H-imidazol-5-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 170056518
5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056342
5-[(1R,6S)-5-[(7-cyclopropyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056542
N-cyclopropyl-5-[(1R,6S)-5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-6-fluoropyridine-2-carboxamide
CID 168984360
5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056471
3-ethyl-7-[[4-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 169228402
3-ethyl-7-[[4-[4-(1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166088870
4-[(3S)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3-methylpiperazin-1-yl]-2-fluoro-N-methylbenzamide
CID 166082585
5-[5-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056684
5-[(1S,6R)-5-[(3-ethyl-8-methyl-2-oxo-1H-quinolin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056980
5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179049
3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176581391

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one (CID 170060553) is 3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CCN(c4ccc(-c5n[nH]c(C)n5)nc4)[C@@H]4CC[C@@H]43)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is ZSAAKXQVHMDJNL-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H28N8O/c1-3-17-11-20-21(29-25(17)34)10-16(12-26-20)14-32-8-9-33(23-7-6-22(23)32)18-4-5-19(27-13-18)24-28-15(2)30-31-24/h4-5,10-13,22-23H,3,6-9,14H2,1-2H3,(H,29,34)(H,28,30,31)/t22-,23+/m0/s1.
What are the key properties of 3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one?
3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 456.55 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[[(1S,6R)-5-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]methyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 170060553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).