6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine

C28H32N8 — CID 170108022

IUPAC6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCCCN(CC(C)C)c1cc2c(Nc3ccc(Cc4ccn5ncnc5c4)c(C)c3)ncnc2cn1
InChIInChI=1S/C28H32N8/c1-5-9-35(16-19(2)3)26-14-24-25(15-29-26)30-17-32-28(24)34-23-7-6-22(20(4)11-23)12-21-8-10-36-27(13-21)31-18-33-36/h6-8,10-11,13-15,17-19H,5,9,12,16H2,1-4H3,(H,30,32,34)
InChIKeyZXGCGVDLLLQTNQ-UHFFFAOYSA-N
MW480.62 g/mol
LogP5.58
Rot. Bonds9

About 6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine

6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 170108022) has the molecular formula C28H32N8 and a molecular weight of 480.62 g/mol. Its IUPAC name is 6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID170108022
Molecular FormulaC28H32N8
Molecular Weight480.62 g/mol
Exact Mass480.27
IUPAC Name6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCCCN(CC(C)C)c1cc2c(Nc3ccc(Cc4ccn5ncnc5c4)c(C)c3)ncnc2cn1
InChIInChI=1S/C28H32N8/c1-5-9-35(16-19(2)3)26-14-24-25(15-29-26)30-17-32-28(24)34-23-7-6-22(20(4)11-23)12-21-8-10-36-27(13-21)31-18-33-36/h6-8,10-11,13-15,17-19H,5,9,12,16H2,1-4H3,(H,30,32,34)
InChIKeyZXGCGVDLLLQTNQ-UHFFFAOYSA-N
XLogP5.58
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.62
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-chloro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane
CID 169133232
tert-butyl 4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)anilino]pyrido[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate
CID 169133189
4-N-[3-fluoro-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]quinazoline-4,6-diamine
CID 162431669
6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;ethane
CID 169133458
6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 169133067
1-[(3S)-3-methyl-4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)anilino]pyrido[3,2-d]pyrimidin-6-yl]piperazin-1-yl]but-2-yn-1-one
CID 177130053
6-methyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 130324323
1-[7-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)anilino]pyrido[3,2-d]pyrimidin-6-yl]-4,7-diazaspiro[2.5]octan-4-yl]prop-2-en-1-one
CID 169133396
tert-butyl (2R)-2-methyl-4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)anilino]pyrido[3,2-d]pyrimidin-6-yl]piperazine-1-carboxylate
CID 169133141
(3E)-3-[2-(dimethylamino)propylidene]-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-2-one
CID 164561655
6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 58140156
6-[(4,4-dimethyl-5H-1,3-thiazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 58139887

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine (CID 170108022) is 6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine is CCCN(CC(C)C)c1cc2c(Nc3ccc(Cc4ccn5ncnc5c4)c(C)c3)ncnc2cn1.
What is the InChIKey of 6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is ZXGCGVDLLLQTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8/c1-5-9-35(16-19(2)3)26-14-24-25(15-29-26)30-17-32-28(24)34-23-7-6-22(20(4)11-23)12-21-8-10-36-27(13-21)31-18-33-36/h6-8,10-11,13-15,17-19H,5,9,12,16H2,1-4H3,(H,30,32,34).
What are the key properties of 6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine?
6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 480.62 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methylpropyl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]-6-N-propylpyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 170108022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).