8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one

C23H39N5O2 — CID 139451397

IUPAC8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(C(C)C)C3=O)COCC2
InChIInChI=1S/C23H39N5O2/c1-17(2)27-11-9-23(22(27)29)7-5-18(6-8-23)21-19(15-26(4)12-10-24-3)25-28-13-14-30-16-20(21)28/h17-18,24H,5-16H2,1-4H3
InChIKeyXFRMWZWRHGLLOG-UHFFFAOYSA-N
MW417.60 g/mol
LogP2.35
Rot. Bonds7

About 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one

8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one (PubChem CID 139451397) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one
PubChem CID139451397
Molecular FormulaC23H39N5O2
Molecular Weight417.60 g/mol
Exact Mass417.31
IUPAC Name8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(C(C)C)C3=O)COCC2
InChIInChI=1S/C23H39N5O2/c1-17(2)27-11-9-23(22(27)29)7-5-18(6-8-23)21-19(15-26(4)12-10-24-3)25-28-13-14-30-16-20(21)28/h17-18,24H,5-16H2,1-4H3
InChIKeyXFRMWZWRHGLLOG-UHFFFAOYSA-N
XLogP2.35
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one with MolForge

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Related Compounds

US11028083, Example 82a
CID 139451536
US11028083, Example 104a
CID 139456648
US11028083, Example 38
CID 139451384
US11028083, Example 9a
CID 139451388
US11028083, Example 72a
CID 139451392
US11028083, Example 107a
CID 139451405
US11028083, Example 28
CID 139451457
US11028083, Example 81
CID 139451467
US11028083, Example 71a
CID 139451483
US11028083, Example 29
CID 139451491
US11028083, Example 31
CID 139451532
US11028083, Example 22
CID 139456562

Frequently Asked Questions

What is the IUPAC name of 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one (CID 139451397) is 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one is CNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(C(C)C)C3=O)COCC2.
What is the InChIKey of 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one?
The InChIKey is XFRMWZWRHGLLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-17(2)27-11-9-23(22(27)29)7-5-18(6-8-23)21-19(15-26(4)12-10-24-3)25-28-13-14-30-16-20(21)28/h17-18,24H,5-16H2,1-4H3.
What are the key properties of 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one?
8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one has a molecular weight of 417.60 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 139451397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).