3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine

C16H20N4O3S — CID 138052580

IUPAC3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
SMILESCC1(C)COc2c(S(=O)(=O)N3CCCc4ncccc43)cnn2C1
InChIInChI=1S/C16H20N4O3S/c1-16(2)10-19-15(23-11-16)14(9-18-19)24(21,22)20-8-4-5-12-13(20)6-3-7-17-12/h3,6-7,9H,4-5,8,10-11H2,1-2H3
InChIKeyDTQAYBMQFITSQR-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.84
Rot. Bonds2

About 3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine

3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine (PubChem CID 138052580) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
PubChem CID138052580
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
SMILESCC1(C)COc2c(S(=O)(=O)N3CCCc4ncccc43)cnn2C1
InChIInChI=1S/C16H20N4O3S/c1-16(2)10-19-15(23-11-16)14(9-18-19)24(21,22)20-8-4-5-12-13(20)6-3-7-17-12/h3,6-7,9H,4-5,8,10-11H2,1-2H3
InChIKeyDTQAYBMQFITSQR-UHFFFAOYSA-N
XLogP1.84
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine (CID 138052580) is 3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine is CC1(C)COc2c(S(=O)(=O)N3CCCc4ncccc43)cnn2C1.
What is the InChIKey of 3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The InChIKey is DTQAYBMQFITSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-16(2)10-19-15(23-11-16)14(9-18-19)24(21,22)20-8-4-5-12-13(20)6-3-7-17-12/h3,6-7,9H,4-5,8,10-11H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine has a molecular weight of 348.43 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-1,5-naphthyridin-1-ylsulfonyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 138052580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).