[2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone

C24H41N5O3 — CID 165120877

IUPAC[2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone
SMILESCOCC1(COC)CCC(c2c(CN(C)CCN)nn3c2CN(C(=O)C2CC2)CC3)CC1
InChIInChI=1S/C24H41N5O3/c1-27(11-10-25)14-20-22(18-6-8-24(9-7-18,16-31-2)17-32-3)21-15-28(12-13-29(21)26-20)23(30)19-4-5-19/h18-19H,4-17,25H2,1-3H3
InChIKeyBXFWAXLMBWJNLG-UHFFFAOYSA-N
MW447.62 g/mol
LogP1.96
Rot. Bonds10

About [2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone

[2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone (PubChem CID 165120877) has the molecular formula C24H41N5O3 and a molecular weight of 447.62 g/mol. Its IUPAC name is [2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone
PubChem CID165120877
Molecular FormulaC24H41N5O3
Molecular Weight447.62 g/mol
Exact Mass447.32
IUPAC Name[2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone
SMILESCOCC1(COC)CCC(c2c(CN(C)CCN)nn3c2CN(C(=O)C2CC2)CC3)CC1
InChIInChI=1S/C24H41N5O3/c1-27(11-10-25)14-20-22(18-6-8-24(9-7-18,16-31-2)17-32-3)21-15-28(12-13-29(21)26-20)23(30)19-4-5-19/h18-19H,4-17,25H2,1-3H3
InChIKeyBXFWAXLMBWJNLG-UHFFFAOYSA-N
XLogP1.96
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[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
[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
[3-[4,4-bis(methoxymethyl)cyclohexyl]-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,2-dimethyloxolan-3-yl)methanone
CID 165120925
1-[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-fluoro-2-methylidenebutan-1-one
CID 165120908
3-[3-[4,4-bis(methoxymethyl)cyclohexyl]-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-methyl-3-oxopropanenitrile
CID 165120876
N'-[[3-[4,4-bis(methoxymethyl)cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 165120886
2-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl-methylamino]ethyl N-methylcarbamate
CID 139451514
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
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
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 60700298
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60637500

Frequently Asked Questions

What is the IUPAC name of [2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone?
The IUPAC name of [2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone (CID 165120877) is [2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone.
What is the SMILES notation for [2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone?
The canonical SMILES for [2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone is COCC1(COC)CCC(c2c(CN(C)CCN)nn3c2CN(C(=O)C2CC2)CC3)CC1.
What is the InChIKey of [2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone?
The InChIKey is BXFWAXLMBWJNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O3/c1-27(11-10-25)14-20-22(18-6-8-24(9-7-18,16-31-2)17-32-3)21-15-28(12-13-29(21)26-20)23(30)19-4-5-19/h18-19H,4-17,25H2,1-3H3.
What are the key properties of [2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone?
[2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone has a molecular weight of 447.62 g/mol, XLogP of 1.96, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-aminoethyl(methyl)amino]methyl]-3-[4,4-bis(methoxymethyl)cyclohexyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-cyclopropylmethanone is sourced from PubChem (CID 165120877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).