6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine

C41H51Cl3N20O — CID 167534787

IUPAC6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine
SMILESCC(=O)c1cnc(Cl)nc1Cl.CC(C)NN.Cc1cc2ncnn2cc1N.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C(C)C)c2n1.Cc1nn(C(C)C)c2nc(Cl)ncc12
InChIInChI=1S/C16H18N8.C9H11ClN4.C7H8N4.C6H4Cl2N2O.C3H10N2/c1-9(2)24-15-12(11(4)22-24)6-17-16(21-15)20-13-7-23-14(5-10(13)3)18-8-19-23;1-5(2)14-8-7(6(3)13-14)4-11-9(10)12-8;1-5-2-7-9-4-10-11(7)3-6(5)8;1-3(11)4-2-9-6(8)10-5(4)7;1-3(2)5-4/h5-9H,1-4H3,(H,17,20,21);4-5H,1-3H3;2-4H,8H2,1H3;2H,1H3;3,5H,4H2,1-2H3
InChIKeyAKTDYKRAGBIRFO-UHFFFAOYSA-N
MW946.36 g/mol
LogP7.64
Rot. Bonds6

About 6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine

6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine (PubChem CID 167534787) has the molecular formula C41H51Cl3N20O and a molecular weight of 946.36 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine.

Molecular Properties

Compound Name6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine
PubChem CID167534787
Molecular FormulaC41H51Cl3N20O
Molecular Weight946.36 g/mol
Exact Mass944.36
IUPAC Name6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine
SMILESCC(=O)c1cnc(Cl)nc1Cl.CC(C)NN.Cc1cc2ncnn2cc1N.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C(C)C)c2n1.Cc1nn(C(C)C)c2nc(Cl)ncc12
InChIInChI=1S/C16H18N8.C9H11ClN4.C7H8N4.C6H4Cl2N2O.C3H10N2/c1-9(2)24-15-12(11(4)22-24)6-17-16(21-15)20-13-7-23-14(5-10(13)3)18-8-19-23;1-5(2)14-8-7(6(3)13-14)4-11-9(10)12-8;1-5-2-7-9-4-10-11(7)3-6(5)8;1-3(11)4-2-9-6(8)10-5(4)7;1-3(2)5-4/h5-9H,1-4H3,(H,17,20,21);4-5H,1-3H3;2-4H,8H2,1H3;2H,1H3;3,5H,4H2,1-2H3
InChIKeyAKTDYKRAGBIRFO-UHFFFAOYSA-N
XLogP7.64
TPSA266.53 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500946.36
LogP ≤ 57.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine with MolForge

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Related Compounds

6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;(4,4-difluorocyclohexyl)hydrazine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;hydrochloride
CID 167587147
5-[5-[2-[[5-(5-Chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523264
5-amino-1-propan-2-ylimidazole-4-carboxamide;7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
CID 157501873
7-[Benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157643580
N-(6-chloro-3-pyridinyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 157830581
5-chloro-2-N-(3,6-dimethylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(6-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-b]pyridazin-7-yl)-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-2,4-diamine
CID 157990642
N-[3-(3-chlorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158294962
2-amino-N-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(dimethylamino)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(piperidin-4-ylmethyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 159110881
7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-fluoro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-ylimidazo[4,5-c]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
CID 159289848
3-Amino-2-chloro-6-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-4-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;3-amino-6-[2-[2-(3-methylimidazol-3-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,4-dien-1-one;5-amino-2-methyl-4-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one;2-[[3-[(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium;methane
CID 159324120
2-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[6-chloro-4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159470757
5-(1-aminoethenyl)-3-propan-2-ylimidazol-4-amine;2-amino-9-propan-2-yl-1H-purin-6-one;7-chloro-3-propan-2-ylimidazo[4,5-b]pyridine;2-chloro-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-ylpurin-6-amine;methane;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
CID 160318816

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine?
The IUPAC name of 6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine (CID 167534787) is 6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine.
What is the SMILES notation for 6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine?
The canonical SMILES for 6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine is CC(=O)c1cnc(Cl)nc1Cl.CC(C)NN.Cc1cc2ncnn2cc1N.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C(C)C)c2n1.Cc1nn(C(C)C)c2nc(Cl)ncc12.
What is the InChIKey of 6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine?
The InChIKey is AKTDYKRAGBIRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8.C9H11ClN4.C7H8N4.C6H4Cl2N2O.C3H10N2/c1-9(2)24-15-12(11(4)22-24)6-17-16(21-15)20-13-7-23-14(5-10(13)3)18-8-19-23;1-5(2)14-8-7(6(3)13-14)4-11-9(10)12-8;1-5-2-7-9-4-10-11(7)3-6(5)8;1-3(11)4-2-9-6(8)10-5(4)7;1-3(2)5-4/h5-9H,1-4H3,(H,17,20,21);4-5H,1-3H3;2-4H,8H2,1H3;2H,1H3;3,5H,4H2,1-2H3.
What are the key properties of 6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine?
6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine has a molecular weight of 946.36 g/mol, XLogP of 7.64, 6 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;propan-2-ylhydrazine is sourced from PubChem (CID 167534787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).