8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one

C20H33N5O — CID 139451445

IUPAC8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CNC(=O)C3)CCC2
InChIInChI=1S/C20H33N5O/c1-21-9-11-24(2)13-16-19(17-4-3-10-25(17)23-16)15-5-7-20(8-6-15)12-18(26)22-14-20/h15,21H,3-14H2,1-2H3,(H,22,26)
InChIKeyLFZHOSCISCOTAH-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.64
Rot. Bonds6

About 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one

8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one (PubChem CID 139451445) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one
PubChem CID139451445
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CNC(=O)C3)CCC2
InChIInChI=1S/C20H33N5O/c1-21-9-11-24(2)13-16-19(17-4-3-10-25(17)23-16)15-5-7-20(8-6-15)12-18(26)22-14-20/h15,21H,3-14H2,1-2H3,(H,22,26)
InChIKeyLFZHOSCISCOTAH-UHFFFAOYSA-N
XLogP1.64
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one with MolForge

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Related Compounds

US11028083, Example 67a
CID 139451510
US11028083, Example 37
CID 139451411
US11028083, Example 40
CID 139451412
US11028083, Example 48
CID 139451428
US11028083, Example 39
CID 139451439
US11028083, Example 30
CID 139451447
US11028083, Example 55
CID 139451453
US11028083, Example 68a
CID 139451479
US11028083, Example 25
CID 139451480
US11028083, Example 63a
CID 139451538
US11028083, Example 16
CID 139451541
US11028083, Example 27
CID 139451554

Frequently Asked Questions

What is the IUPAC name of 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one (CID 139451445) is 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one is CNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CNC(=O)C3)CCC2.
What is the InChIKey of 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one?
The InChIKey is LFZHOSCISCOTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-21-9-11-24(2)13-16-19(17-4-3-10-25(17)23-16)15-5-7-20(8-6-15)12-18(26)22-14-20/h15,21H,3-14H2,1-2H3,(H,22,26).
What are the key properties of 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one?
8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one has a molecular weight of 359.52 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 139451445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).