2-ethyl-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

C22H37N5O — CID 139451411

IUPAC2-ethyl-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
SMILESCCN1CCC2(CCC(c3c(CN(C)CCNC)nn4c3CCC4)CC2)C1=O
InChIInChI=1S/C22H37N5O/c1-4-26-14-11-22(21(26)28)9-7-17(8-10-22)20-18(16-25(3)15-12-23-2)24-27-13-5-6-19(20)27/h17,23H,4-16H2,1-3H3
InChIKeyYSSYZVUDZWAYPH-UHFFFAOYSA-N
MW387.57 g/mol
LogP2.38
Rot. Bonds7

About 2-ethyl-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-ethyl-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 139451411) has the molecular formula C22H37N5O and a molecular weight of 387.57 g/mol. Its IUPAC name is 2-ethyl-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-ethyl-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 CID139451411
Molecular FormulaC22H37N5O
Molecular Weight387.57 g/mol
Exact Mass387.30
IUPAC Name2-ethyl-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
SMILESCCN1CCC2(CCC(c3c(CN(C)CCNC)nn4c3CCC4)CC2)C1=O
InChIInChI=1S/C22H37N5O/c1-4-26-14-11-22(21(26)28)9-7-17(8-10-22)20-18(16-25(3)15-12-23-2)24-27-13-5-6-19(20)27/h17,23H,4-16H2,1-3H3
InChIKeyYSSYZVUDZWAYPH-UHFFFAOYSA-N
XLogP2.38
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-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

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

Launch Full Analysis

Related Compounds

US11028083, Example 67a
CID 139451510
US11028083, Example 40
CID 139451412
US11028083, Example 48
CID 139451428
US11028083, Example 39
CID 139451439
US11028083, Example 26
CID 139451445
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 2-ethyl-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-ethyl-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 139451411) is 2-ethyl-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-ethyl-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-ethyl-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 CCN1CCC2(CCC(c3c(CN(C)CCNC)nn4c3CCC4)CC2)C1=O.
What is the InChIKey of 2-ethyl-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 YSSYZVUDZWAYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O/c1-4-26-14-11-22(21(26)28)9-7-17(8-10-22)20-18(16-25(3)15-12-23-2)24-27-13-5-6-19(20)27/h17,23H,4-16H2,1-3H3.
What are the key properties of 2-ethyl-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-ethyl-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 387.57 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-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 139451411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).