(5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C18H22N4O — CID 166940148

IUPAC(5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1c(-c2cccc3c2cnn3C)nn2c1O[C@H](C)CC2
InChIInChI=1S/C18H22N4O/c1-11(2)16-17(20-22-9-8-12(3)23-18(16)22)13-6-5-7-15-14(13)10-19-21(15)4/h5-7,10-12H,8-9H2,1-4H3/t12-/m1/s1
InChIKeyPXYDDKFCFOHAOJ-GFCCVEGCSA-N
MW310.40 g/mol
LogP3.73
Rot. Bonds2

About (5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

(5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 166940148) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID166940148
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1c(-c2cccc3c2cnn3C)nn2c1O[C@H](C)CC2
InChIInChI=1S/C18H22N4O/c1-11(2)16-17(20-22-9-8-12(3)23-18(16)22)13-6-5-7-15-14(13)10-19-21(15)4/h5-7,10-12H,8-9H2,1-4H3/t12-/m1/s1
InChIKeyPXYDDKFCFOHAOJ-GFCCVEGCSA-N
XLogP3.73
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 166940148) is (5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CC(C)c1c(-c2cccc3c2cnn3C)nn2c1O[C@H](C)CC2.
What is the InChIKey of (5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is PXYDDKFCFOHAOJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N4O/c1-11(2)16-17(20-22-9-8-12(3)23-18(16)22)13-6-5-7-15-14(13)10-19-21(15)4/h5-7,10-12H,8-9H2,1-4H3/t12-/m1/s1.
What are the key properties of (5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 310.40 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-2-(1-methylindazol-4-yl)-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 166940148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).