2-benzyl-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

C27H39N5O2 — CID 139451388

IUPAC2-benzyl-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
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(Cc1ccccc1)C3=O)COCC2
InChIInChI=1S/C27H39N5O2/c1-28-13-15-30(2)19-23-25(24-20-34-17-16-32(24)29-23)22-8-10-27(11-9-22)12-14-31(26(27)33)18-21-6-4-3-5-7-21/h3-7,22,28H,8-20H2,1-2H3
InChIKeyRIQQQXVXSYOJKF-UHFFFAOYSA-N
MW465.64 g/mol
LogP3.14
Rot. Bonds8

About 2-benzyl-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

2-benzyl-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 (PubChem CID 139451388) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is 2-benzyl-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.

Molecular Properties

Compound Name2-benzyl-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
PubChem CID139451388
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC Name2-benzyl-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
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(Cc1ccccc1)C3=O)COCC2
InChIInChI=1S/C27H39N5O2/c1-28-13-15-30(2)19-23-25(24-20-34-17-16-32(24)29-23)22-8-10-27(11-9-22)12-14-31(26(27)33)18-21-6-4-3-5-7-21/h3-7,22,28H,8-20H2,1-2H3
InChIKeyRIQQQXVXSYOJKF-UHFFFAOYSA-N
XLogP3.14
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-benzyl-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 with MolForge

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Related Compounds

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 50832540
US11028083, Example 38
CID 139451384
US11028083, Example 72a
CID 139451392
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
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(4-methylphenyl)ethanone
CID 50832629
2-(4-fluorophenyl)-1-[1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 50832747
2-amino-2-methyl-N-[(2R)-1-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 176108077

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-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?
The IUPAC name of 2-benzyl-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 (CID 139451388) is 2-benzyl-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.
What is the SMILES notation for 2-benzyl-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?
The canonical SMILES for 2-benzyl-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 is CNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(Cc1ccccc1)C3=O)COCC2.
What is the InChIKey of 2-benzyl-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?
The InChIKey is RIQQQXVXSYOJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O2/c1-28-13-15-30(2)19-23-25(24-20-34-17-16-32(24)29-23)22-8-10-27(11-9-22)12-14-31(26(27)33)18-21-6-4-3-5-7-21/h3-7,22,28H,8-20H2,1-2H3.
What are the key properties of 2-benzyl-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?
2-benzyl-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 has a molecular weight of 465.64 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-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 is sourced from PubChem (CID 139451388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).