3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C19H24N6O4S — CID 168797839

IUPAC3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCO[C@@H]1CN(S(=O)(=O)c2cnn3c2OCCC3)CC[C@H]1c1cn2ncnc2cc1C
InChIInChI=1S/C19H24N6O4S/c1-13-8-18-20-12-22-25(18)10-15(13)14-4-6-23(11-16(14)28-2)30(26,27)17-9-21-24-5-3-7-29-19(17)24/h8-10,12,14,16H,3-7,11H2,1-2H3/t14-,16+/m0/s1
InChIKeyNHNDFTGVAPOZAV-GOEBONIOSA-N
MW432.51 g/mol
LogP1.21
Rot. Bonds4

About 3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 168797839) has the molecular formula C19H24N6O4S and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID168797839
Molecular FormulaC19H24N6O4S
Molecular Weight432.51 g/mol
Exact Mass432.16
IUPAC Name3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCO[C@@H]1CN(S(=O)(=O)c2cnn3c2OCCC3)CC[C@H]1c1cn2ncnc2cc1C
InChIInChI=1S/C19H24N6O4S/c1-13-8-18-20-12-22-25(18)10-15(13)14-4-6-23(11-16(14)28-2)30(26,27)17-9-21-24-5-3-7-29-19(17)24/h8-10,12,14,16H,3-7,11H2,1-2H3/t14-,16+/m0/s1
InChIKeyNHNDFTGVAPOZAV-GOEBONIOSA-N
XLogP1.21
TPSA103.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 168797839) is 3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CO[C@@H]1CN(S(=O)(=O)c2cnn3c2OCCC3)CC[C@H]1c1cn2ncnc2cc1C.
What is the InChIKey of 3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is NHNDFTGVAPOZAV-GOEBONIOSA-N. The full InChI is InChI=1S/C19H24N6O4S/c1-13-8-18-20-12-22-25(18)10-15(13)14-4-6-23(11-16(14)28-2)30(26,27)17-9-21-24-5-3-7-29-19(17)24/h8-10,12,14,16H,3-7,11H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of 3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 432.51 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4S)-3-methoxy-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 168797839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).