N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine

C22H34N4O2 — CID 23527213

IUPACN-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine
SMILESCCCN(CCOC)Cc1c2c(nn1C)N(c1ccc(OC)cc1C)CCC2
InChIInChI=1S/C22H34N4O2/c1-6-11-25(13-14-27-4)16-21-19-8-7-12-26(22(19)23-24(21)3)20-10-9-18(28-5)15-17(20)2/h9-10,15H,6-8,11-14,16H2,1-5H3
InChIKeyWCTYMANFVBVXGJ-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.68
Rot. Bonds9

About N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine

N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine (PubChem CID 23527213) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine
PubChem CID23527213
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine
SMILESCCCN(CCOC)Cc1c2c(nn1C)N(c1ccc(OC)cc1C)CCC2
InChIInChI=1S/C22H34N4O2/c1-6-11-25(13-14-27-4)16-21-19-8-7-12-26(22(19)23-24(21)3)20-10-9-18(28-5)15-17(20)2/h9-10,15H,6-8,11-14,16H2,1-5H3
InChIKeyWCTYMANFVBVXGJ-UHFFFAOYSA-N
XLogP3.68
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

1-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine
CID 10291750
7-[4-(2-Methoxy-ethyl)-piperazin-1-yl]-2-(3-methoxy-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidine
CID 652304
1-(4-methoxy-2-methylphenyl)-N-((S)-1-methoxybutan-2-yl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 45485009
N-ethyl-1-(4-methoxy-2-methylphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 45485022
1-(4-methoxy-2-methylphenyl)-N,N-bis(2-methoxyethyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 45485023
2-((1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)(propyl)amino)ethanol
CID 45485032
1-(4-methoxy-2-methylphenyl)-N-((R)-1-methoxybutan-2-yl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 45485034
1-(4-methoxy-2-methylphenyl)-N-(2-methoxyethyl)-3,6-dimethyl-N-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 45485040
2-(4-ethoxyphenyl)-7-[(3R)-3-methoxypyrrolidin-1-yl]-3,4-dimethylpyrazolo[3,4-d]pyridazine
CID 56659471
2-(4-Ethoxyphenyl)-7-(3-methoxyazetidin-1-yl)-3,4-dimethylpyrazolo[3,4-d]pyridazine
CID 56669824
1-(1-methoxybutan-2-yl)-N-(4-(111C)methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine
CID 71453426
6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-morpholino-6H-pyrrolo[3,4-d]pyridazine
CID 44407216

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine (CID 23527213) is N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine is CCCN(CCOC)Cc1c2c(nn1C)N(c1ccc(OC)cc1C)CCC2.
What is the InChIKey of N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine?
The InChIKey is WCTYMANFVBVXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-6-11-25(13-14-27-4)16-21-19-8-7-12-26(22(19)23-24(21)3)20-10-9-18(28-5)15-17(20)2/h9-10,15H,6-8,11-14,16H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine?
N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine has a molecular weight of 386.54 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[7-(4-methoxy-2-methylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 23527213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).