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

C21H35N5O — CID 139451428

IUPAC1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CCC(=O)N3C)CC1)CCC2
InChIInChI=1S/C21H35N5O/c1-22-12-14-24(2)15-17-20(18-5-4-13-26(18)23-17)16-6-9-21(10-7-16)11-8-19(27)25(21)3/h16,22H,4-15H2,1-3H3
InChIKeyOKXWMFKSGQGHOR-UHFFFAOYSA-N
MW373.55 g/mol
LogP2.13
Rot. Bonds6

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

1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one (PubChem CID 139451428) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one
PubChem CID139451428
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CCC(=O)N3C)CC1)CCC2
InChIInChI=1S/C21H35N5O/c1-22-12-14-24(2)15-17-20(18-5-4-13-26(18)23-17)16-6-9-21(10-7-16)11-8-19(27)25(21)3/h16,22H,4-15H2,1-3H3
InChIKeyOKXWMFKSGQGHOR-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

US11028083, Example 37
CID 139451411
US11028083, Example 40
CID 139451412
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 27
CID 139451554
US11028083, Example 54
CID 139451558
US11028083, Example 77a
CID 139456542

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one (CID 139451428) is 1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one is CNCCN(C)Cc1nn2c(c1C1CCC3(CCC(=O)N3C)CC1)CCC2.
What is the InChIKey of 1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one?
The InChIKey is OKXWMFKSGQGHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-22-12-14-24(2)15-17-20(18-5-4-13-26(18)23-17)16-6-9-21(10-7-16)11-8-19(27)25(21)3/h16,22H,4-15H2,1-3H3.
What are the key properties of 1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one?
1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one has a molecular weight of 373.55 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 139451428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).