N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C24H42F2N4O2 — CID 139451526

IUPACN'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCOCC1(COCC)CCC(c2c(CN(C)CCNC)nn3c2CC(F)(F)CC3)CC1
InChIInChI=1S/C24H42F2N4O2/c1-5-31-17-23(18-32-6-2)9-7-19(8-10-23)22-20(16-29(4)14-12-27-3)28-30-13-11-24(25,26)15-21(22)30/h19,27H,5-18H2,1-4H3
InChIKeyRTGMWBVEWCLIQI-UHFFFAOYSA-N
MW456.62 g/mol
LogP3.83
Rot. Bonds12

About N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 139451526) has the molecular formula C24H42F2N4O2 and a molecular weight of 456.62 g/mol. Its IUPAC name is N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID139451526
Molecular FormulaC24H42F2N4O2
Molecular Weight456.62 g/mol
Exact Mass456.33
IUPAC NameN'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCOCC1(COCC)CCC(c2c(CN(C)CCNC)nn3c2CC(F)(F)CC3)CC1
InChIInChI=1S/C24H42F2N4O2/c1-5-31-17-23(18-32-6-2)9-7-19(8-10-23)22-20(16-29(4)14-12-27-3)28-30-13-11-24(25,26)15-21(22)30/h19,27H,5-18H2,1-4H3
InChIKeyRTGMWBVEWCLIQI-UHFFFAOYSA-N
XLogP3.83
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.62
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

US11028083, Example 5a
CID 139451418
US11028083, Example 92
CID 139451436
US11028083, Example 103a
CID 139451512
US11028083, Example 83a
CID 139451534
US11028083, Example 82a
CID 139451536
US11028083, Example 102
CID 139456543
US11028083, Example 101a
CID 139456545
US11028083, Example 78a
CID 139456547
US11028083, Example 79a
CID 139456622
US11028083, Example 4
CID 139456625
US11028083, Example 91
CID 139456645
US11028083, Example 104a
CID 139456648

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 139451526) is N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CCOCC1(COCC)CCC(c2c(CN(C)CCNC)nn3c2CC(F)(F)CC3)CC1.
What is the InChIKey of N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is RTGMWBVEWCLIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42F2N4O2/c1-5-31-17-23(18-32-6-2)9-7-19(8-10-23)22-20(16-29(4)14-12-27-3)28-30-13-11-24(25,26)15-21(22)30/h19,27H,5-18H2,1-4H3.
What are the key properties of N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 456.62 g/mol, XLogP of 3.83, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-5,5-difluoro-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 139451526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).