N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C23H38F2N4O — CID 139456798

IUPACN'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)COCC(C)(C)C3)CC(F)(F)C2
InChIInChI=1S/C23H38F2N4O/c1-21(2)13-22(16-30-15-21)7-5-17(6-8-22)20-18(12-28(4)10-9-26-3)27-29-14-23(24,25)11-19(20)29/h17,26H,5-16H2,1-4H3
InChIKeySCKOQABBVIPRPT-UHFFFAOYSA-N
MW424.58 g/mol
LogP3.82
Rot. Bonds6

About N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 139456798) has the molecular formula C23H38F2N4O and a molecular weight of 424.58 g/mol. Its IUPAC name is N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID139456798
Molecular FormulaC23H38F2N4O
Molecular Weight424.58 g/mol
Exact Mass424.30
IUPAC NameN'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CC1)COCC(C)(C)C3)CC(F)(F)C2
InChIInChI=1S/C23H38F2N4O/c1-21(2)13-22(16-30-15-21)7-5-17(6-8-22)20-18(12-28(4)10-9-26-3)27-29-14-23(24,25)11-19(20)29/h17,26H,5-16H2,1-4H3
InChIKeySCKOQABBVIPRPT-UHFFFAOYSA-N
XLogP3.82
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 139457103
N'-[[3-(3,3-dimethyl-1-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 158616916
N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 139456625
N'-[[3-[4-(ethoxymethyl)cyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 153339587
N'-[[3-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 139456658
2,2-dimethyl-3-[1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]cyclohexyl]propan-1-ol
CID 139456841
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
[3-[4,4-bis(methoxymethyl)cyclohexyl]-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4,4-difluorocyclohexyl)methanone
CID 165120947
N'-[[3-[4-ethyl-4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 161224755
[3-[4,4-bis(methoxymethyl)cyclohexyl]-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1-methylcyclobutyl)methanone
CID 165120917
N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 139456564
tert-butyl N-[2-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl-methylamino]ethyl]-N-methylcarbamate
CID 139456979

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 139456798) is N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1nn2c(c1C1CCC3(CC1)COCC(C)(C)C3)CC(F)(F)C2.
What is the InChIKey of N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is SCKOQABBVIPRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38F2N4O/c1-21(2)13-22(16-30-15-21)7-5-17(6-8-22)20-18(12-28(4)10-9-26-3)27-29-14-23(24,25)11-19(20)29/h17,26H,5-16H2,1-4H3.
What are the key properties of N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 424.58 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(4,4-dimethyl-2-oxaspiro[5.5]undecan-9-yl)-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 139456798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).