7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine

C28H37ClN4 — CID 23527180

IUPAC7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCCN(Cc1cc(C)c(C)c(C)c1)c1c2c(nn1C)N(c1c(C)cc(C)cc1Cl)CCC2
InChIInChI=1S/C28H37ClN4/c1-8-11-32(17-23-15-19(3)22(6)20(4)16-23)28-24-10-9-12-33(27(24)30-31(28)7)26-21(5)13-18(2)14-25(26)29/h13-16H,8-12,17H2,1-7H3
InChIKeyMGEDKFGFDVYSLQ-UHFFFAOYSA-N
MW465.09 g/mol
LogP7.12
Rot. Bonds6

About 7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine

7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 23527180) has the molecular formula C28H37ClN4 and a molecular weight of 465.09 g/mol. Its IUPAC name is 7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID23527180
Molecular FormulaC28H37ClN4
Molecular Weight465.09 g/mol
Exact Mass464.27
IUPAC Name7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCCN(Cc1cc(C)c(C)c(C)c1)c1c2c(nn1C)N(c1c(C)cc(C)cc1Cl)CCC2
InChIInChI=1S/C28H37ClN4/c1-8-11-32(17-23-15-19(3)22(6)20(4)16-23)28-24-10-9-12-33(27(24)30-31(28)7)26-21(5)13-18(2)14-25(26)29/h13-16H,8-12,17H2,1-7H3
InChIKeyMGEDKFGFDVYSLQ-UHFFFAOYSA-N
XLogP7.12
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.09
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine with MolForge

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Related Compounds

N-benzyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 23527221
2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 23527202
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 23527197
N-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 23527212
3-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]pentan-3-ol
CID 23527162
tert-butyl N-[7-(2-chloro-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]carbamate;7-(2-chloro-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 161255935
2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 69472854
2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
CID 91803757
N-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
CID 158275183
7-(2-amino-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 141121374
N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine
CID 87928133
N-[[8-(2-chloro-4,6-dimethylphenyl)-2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 20780264

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (CID 23527180) is 7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is CCCN(Cc1cc(C)c(C)c(C)c1)c1c2c(nn1C)N(c1c(C)cc(C)cc1Cl)CCC2.
What is the InChIKey of 7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is MGEDKFGFDVYSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN4/c1-8-11-32(17-23-15-19(3)22(6)20(4)16-23)28-24-10-9-12-33(27(24)30-31(28)7)26-21(5)13-18(2)14-25(26)29/h13-16H,8-12,17H2,1-7H3.
What are the key properties of 7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 465.09 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4,6-dimethylphenyl)-2-methyl-N-propyl-N-[(3,4,5-trimethylphenyl)methyl]-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 23527180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).