6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one

C26H32N8O3 — CID 170324288

IUPAC6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCOCCN1CCc2cc(Nc3cc4c(cn3)CCN(c3cnc5c(c3C)NCCO5)C4)nn2CC1=O
InChIInChI=1S/C26H32N8O3/c1-17-21(14-29-26-25(17)27-5-9-37-26)33-6-3-18-13-28-22(11-19(18)15-33)30-23-12-20-4-7-32(8-10-36-2)24(35)16-34(20)31-23/h11-14,27H,3-10,15-16H2,1-2H3,(H,28,30,31)
InChIKeyIDOBZAGIKWGDTA-UHFFFAOYSA-N
MW504.60 g/mol
LogP2.12
Rot. Bonds6

About 6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one

6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (PubChem CID 170324288) has the molecular formula C26H32N8O3 and a molecular weight of 504.60 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.

Molecular Properties

Compound Name6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID170324288
Molecular FormulaC26H32N8O3
Molecular Weight504.60 g/mol
Exact Mass504.26
IUPAC Name6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCOCCN1CCc2cc(Nc3cc4c(cn3)CCN(c3cnc5c(c3C)NCCO5)C4)nn2CC1=O
InChIInChI=1S/C26H32N8O3/c1-17-21(14-29-26-25(17)27-5-9-37-26)33-6-3-18-13-28-22(11-19(18)15-33)30-23-12-20-4-7-32(8-10-36-2)24(35)16-34(20)31-23/h11-14,27H,3-10,15-16H2,1-2H3,(H,28,30,31)
InChIKeyIDOBZAGIKWGDTA-UHFFFAOYSA-N
XLogP2.12
TPSA109.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.60
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The IUPAC name of 6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (CID 170324288) is 6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.
What is the SMILES notation for 6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The canonical SMILES for 6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is COCCN1CCc2cc(Nc3cc4c(cn3)CCN(c3cnc5c(c3C)NCCO5)C4)nn2CC1=O.
What is the InChIKey of 6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The InChIKey is IDOBZAGIKWGDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3/c1-17-21(14-29-26-25(17)27-5-9-37-26)33-6-3-18-13-28-22(11-19(18)15-33)30-23-12-20-4-7-32(8-10-36-2)24(35)16-34(20)31-23/h11-14,27H,3-10,15-16H2,1-2H3,(H,28,30,31).
What are the key properties of 6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one has a molecular weight of 504.60 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-2-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is sourced from PubChem (CID 170324288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).