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

C23H39N5O — CID 139451439

IUPAC8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(C(C)C)C3=O)CCC2
InChIInChI=1S/C23H39N5O/c1-17(2)27-14-11-23(22(27)29)9-7-18(8-10-23)21-19(16-26(4)15-12-24-3)25-28-13-5-6-20(21)28/h17-18,24H,5-16H2,1-4H3
InChIKeySQTCECSMNOWPKX-UHFFFAOYSA-N
MW401.60 g/mol
LogP2.77
Rot. Bonds7

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

8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one (PubChem CID 139451439) has the molecular formula C23H39N5O and a molecular weight of 401.60 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-propan-2-yl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one
PubChem CID139451439
Molecular FormulaC23H39N5O
Molecular Weight401.60 g/mol
Exact Mass401.32
IUPAC Name8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)CCN(C(C)C)C3=O)CCC2
InChIInChI=1S/C23H39N5O/c1-17(2)27-14-11-23(22(27)29)9-7-18(8-10-23)21-19(16-26(4)15-12-24-3)25-28-13-5-6-20(21)28/h17-18,24H,5-16H2,1-4H3
InChIKeySQTCECSMNOWPKX-UHFFFAOYSA-N
XLogP2.77
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 52.77
H-Bond Donors ≤ 51
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-propan-2-yl-2-azaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-propan-2-yl-2-azaspiro[4.5]decan-1-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-propan-2-yl-2-azaspiro[4.5]decan-1-one (CID 139451439) is 8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-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]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-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]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-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)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-propan-2-yl-2-azaspiro[4.5]decan-1-one?
The InChIKey is SQTCECSMNOWPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O/c1-17(2)27-14-11-23(22(27)29)9-7-18(8-10-23)21-19(16-26(4)15-12-24-3)25-28-13-5-6-20(21)28/h17-18,24H,5-16H2,1-4H3.
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-propan-2-yl-2-azaspiro[4.5]decan-1-one?
8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-propan-2-yl-2-azaspiro[4.5]decan-1-one has a molecular weight of 401.60 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 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-propan-2-yl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 139451439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).