[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

C27H47N5O3 — CID 165120917

IUPAC[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
SMILESCNCCN(C)Cc1nn2c(c1C1CCC(COC)(COC)CC1)CN(C(=O)C1(C)CCC1)CC2
InChIInChI=1S/C27H47N5O3/c1-26(9-6-10-26)25(33)31-15-16-32-23(18-31)24(22(29-32)17-30(3)14-13-28-2)21-7-11-27(12-8-21,19-34-4)20-35-5/h21,28H,6-20H2,1-5H3
InChIKeyLCBNNPYCSAIVAP-UHFFFAOYSA-N
MW489.71 g/mol
LogP3.00
Rot. Bonds11

About [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

[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 (PubChem CID 165120917) has the molecular formula C27H47N5O3 and a molecular weight of 489.71 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID165120917
Molecular FormulaC27H47N5O3
Molecular Weight489.71 g/mol
Exact Mass489.37
IUPAC Name[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
SMILESCNCCN(C)Cc1nn2c(c1C1CCC(COC)(COC)CC1)CN(C(=O)C1(C)CCC1)CC2
InChIInChI=1S/C27H47N5O3/c1-26(9-6-10-26)25(33)31-15-16-32-23(18-31)24(22(29-32)17-30(3)14-13-28-2)21-7-11-27(12-8-21,19-34-4)20-35-5/h21,28H,6-20H2,1-5H3
InChIKeyLCBNNPYCSAIVAP-UHFFFAOYSA-N
XLogP3.00
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CNCCN(C)Cc1nn2c(c1C1CCC(COC)(COC)CC1)CN(C(=O)C1(C)CCC1)CC2.
What is the InChIKey of [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?
The InChIKey is LCBNNPYCSAIVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47N5O3/c1-26(9-6-10-26)25(33)31-15-16-32-23(18-31)24(22(29-32)17-30(3)14-13-28-2)21-7-11-27(12-8-21,19-34-4)20-35-5/h21,28H,6-20H2,1-5H3.
What are the key properties of [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?
[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 has a molecular weight of 489.71 g/mol, XLogP of 3.00, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 165120917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).