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

C25H39N7O2 — CID 139451392

IUPAC8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-[(1-methylpyrazol-3-yl)methyl]-2-azaspiro[4.5]decan-1-one
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(Cc1ccn(C)n1)C3=O)COCC2
InChIInChI=1S/C25H39N7O2/c1-26-10-13-29(2)17-21-23(22-18-34-15-14-32(22)28-21)19-4-7-25(8-5-19)9-12-31(24(25)33)16-20-6-11-30(3)27-20/h6,11,19,26H,4-5,7-10,12-18H2,1-3H3
InChIKeyWDCMLWVEIDHUQH-UHFFFAOYSA-N
MW469.63 g/mol
LogP1.87
Rot. Bonds8

About 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-[(1-methylpyrazol-3-yl)methyl]-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-[(1-methylpyrazol-3-yl)methyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 139451392) has the molecular formula C25H39N7O2 and a molecular weight of 469.63 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-[(1-methylpyrazol-3-yl)methyl]-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-[(1-methylpyrazol-3-yl)methyl]-2-azaspiro[4.5]decan-1-one
PubChem CID139451392
Molecular FormulaC25H39N7O2
Molecular Weight469.63 g/mol
Exact Mass469.32
IUPAC Name8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-[(1-methylpyrazol-3-yl)methyl]-2-azaspiro[4.5]decan-1-one
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(Cc1ccn(C)n1)C3=O)COCC2
InChIInChI=1S/C25H39N7O2/c1-26-10-13-29(2)17-21-23(22-18-34-15-14-32(22)28-21)19-4-7-25(8-5-19)9-12-31(24(25)33)16-20-6-11-30(3)27-20/h6,11,19,26H,4-5,7-10,12-18H2,1-3H3
InChIKeyWDCMLWVEIDHUQH-UHFFFAOYSA-N
XLogP1.87
TPSA80.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

US11028083, Example 38
CID 139451384
US11028083, Example 9a
CID 139451388
US11028083, Example 42
CID 139451397
US11028083, Example 28
CID 139451457
US11028083, Example 71a
CID 139451483
US11028083, Example 29
CID 139451491
US11028083, Example 31
CID 139451532
US11028083, Example 41
CID 139456593
bis(2-(cyclohexylmethyl)-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-azaspiro[4.5]decan-1-one);N,N'-dimethyl-N'-[[3-(1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]ethane-1,2-diamine;8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-[(1-methylpyrazol-3-yl)methyl]-2-azaspiro[4.5]decan-1-one
CID 160802439
bis(N'-[[3-(3,3-dimethyl-2-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine);N,N'-dimethyl-N'-[[3-(2-oxaspiro[5.5]undecan-9-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]ethane-1,2-diamine;8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-[(1-methylpyrazol-3-yl)methyl]-2-azaspiro[4.5]decan-1-one
CID 161823371
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide
CID 128984406
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide
CID 128985001

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-[(1-methylpyrazol-3-yl)methyl]-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-[(1-methylpyrazol-3-yl)methyl]-2-azaspiro[4.5]decan-1-one (CID 139451392) is 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]-2-[(1-methylpyrazol-3-yl)methyl]-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-[(1-methylpyrazol-3-yl)methyl]-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-[(1-methylpyrazol-3-yl)methyl]-2-azaspiro[4.5]decan-1-one is CNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(Cc1ccn(C)n1)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-[(1-methylpyrazol-3-yl)methyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is WDCMLWVEIDHUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N7O2/c1-26-10-13-29(2)17-21-23(22-18-34-15-14-32(22)28-21)19-4-7-25(8-5-19)9-12-31(24(25)33)16-20-6-11-30(3)27-20/h6,11,19,26H,4-5,7-10,12-18H2,1-3H3.
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-[(1-methylpyrazol-3-yl)methyl]-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-[(1-methylpyrazol-3-yl)methyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 469.63 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-[(1-methylpyrazol-3-yl)methyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 139451392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).