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

C21H35N5O — CID 139451538

IUPAC2-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(C)C3=O)CCC2
InChIInChI=1S/C21H35N5O/c1-22-11-14-24(2)15-17-19(18-5-4-12-26(18)23-17)16-6-8-21(9-7-16)10-13-25(3)20(21)27/h16,22H,4-15H2,1-3H3
InChIKeyKJMXMJUYZPTPKR-UHFFFAOYSA-N
MW373.55 g/mol
LogP1.99
Rot. Bonds6

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

2-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one (PubChem CID 139451538) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 2-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one
PubChem CID139451538
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name2-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(C)C3=O)CCC2
InChIInChI=1S/C21H35N5O/c1-22-11-14-24(2)15-17-19(18-5-4-12-26(18)23-17)16-6-8-21(9-7-16)10-13-25(3)20(21)27/h16,22H,4-15H2,1-3H3
InChIKeyKJMXMJUYZPTPKR-UHFFFAOYSA-N
XLogP1.99
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one (CID 139451538) is 2-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one is CNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(C)C3=O)CCC2.
What is the InChIKey of 2-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is KJMXMJUYZPTPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-22-11-14-24(2)15-17-19(18-5-4-12-26(18)23-17)16-6-8-21(9-7-16)10-13-25(3)20(21)27/h16,22H,4-15H2,1-3H3.
What are the key properties of 2-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one?
2-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 373.55 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 139451538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).