7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C21H29N5O2 — CID 78318196

IUPAC7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCC(C)n1nc(-c2cnc3c(c2)OCCN3)cc1C1CCN(C2COC2)CC1
InChIInChI=1S/C21H29N5O2/c1-14(2)26-19(15-3-6-25(7-4-15)17-12-27-13-17)10-18(24-26)16-9-20-21(23-11-16)22-5-8-28-20/h9-11,14-15,17H,3-8,12-13H2,1-2H3,(H,22,23)
InChIKeyRFZULWQQBWTSTI-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.91
Rot. Bonds4

About 7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 78318196) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID78318196
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCC(C)n1nc(-c2cnc3c(c2)OCCN3)cc1C1CCN(C2COC2)CC1
InChIInChI=1S/C21H29N5O2/c1-14(2)26-19(15-3-6-25(7-4-15)17-12-27-13-17)10-18(24-26)16-9-20-21(23-11-16)22-5-8-28-20/h9-11,14-15,17H,3-8,12-13H2,1-2H3,(H,22,23)
InChIKeyRFZULWQQBWTSTI-UHFFFAOYSA-N
XLogP2.91
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 78318196) is 7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is CC(C)n1nc(-c2cnc3c(c2)OCCN3)cc1C1CCN(C2COC2)CC1.
What is the InChIKey of 7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is RFZULWQQBWTSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-14(2)26-19(15-3-6-25(7-4-15)17-12-27-13-17)10-18(24-26)16-9-20-21(23-11-16)22-5-8-28-20/h9-11,14-15,17H,3-8,12-13H2,1-2H3,(H,22,23).
What are the key properties of 7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 383.50 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 78318196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).