[1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine

C17H20N4 — CID 28814632

IUPAC[1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
SMILESCc1ccc(-c2nn(C)c3nc(C)c(CN)c(C)c23)cc1
InChIInChI=1S/C17H20N4/c1-10-5-7-13(8-6-10)16-15-11(2)14(9-18)12(3)19-17(15)21(4)20-16/h5-8H,9,18H2,1-4H3
InChIKeyPEWOBWPYDSEUHD-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.02
Rot. Bonds2

About [1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine

[1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine (PubChem CID 28814632) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is [1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
PubChem CID28814632
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name[1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
SMILESCc1ccc(-c2nn(C)c3nc(C)c(CN)c(C)c23)cc1
InChIInChI=1S/C17H20N4/c1-10-5-7-13(8-6-10)16-15-11(2)14(9-18)12(3)19-17(15)21(4)20-16/h5-8H,9,18H2,1-4H3
InChIKeyPEWOBWPYDSEUHD-UHFFFAOYSA-N
XLogP3.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 620253
N-(4-methylphenyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604260
8,16-bis(4-bromophenyl)-5,13-dimethyl-3,11-diphenyl-4,5,7,12,13,15-hexazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),2(6),3,7,10(14),11,15-heptaene
CID 71697009
1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine
CID 79404540
[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
CID 82019192
11,14-dimethyl-16-phenyl-8-oxa-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaen-9-one
CID 139220066
4-chloro-3-(4-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyrazolo[3,4-c]pyridazine
CID 168745591
(1,3,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 82504722
4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine
CID 12063031
1,6-dimethyl-3-pyridin-4-ylpyrazolo[3,4-b]pyridin-5-amine
CID 96592281
[5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methanamine
CID 63756678
1,3,5,6-tetramethyl-4-propylpyrazolo[3,4-b]pyridine
CID 142348062

Frequently Asked Questions

What is the IUPAC name of [1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine?
The IUPAC name of [1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine (CID 28814632) is [1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine.
What is the SMILES notation for [1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine?
The canonical SMILES for [1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine is Cc1ccc(-c2nn(C)c3nc(C)c(CN)c(C)c23)cc1.
What is the InChIKey of [1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine?
The InChIKey is PEWOBWPYDSEUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-10-5-7-13(8-6-10)16-15-11(2)14(9-18)12(3)19-17(15)21(4)20-16/h5-8H,9,18H2,1-4H3.
What are the key properties of [1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine?
[1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine has a molecular weight of 280.38 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4,6-trimethyl-3-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine is sourced from PubChem (CID 28814632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).