tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine

C101H135BrN34O6 — CID 157477563

About tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine

tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine (PubChem CID 157477563) has the molecular formula C101H135BrN34O6 and a molecular weight of 2001.33 g/mol. Its IUPAC name is tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine
• PubChem CID: 157477563
• Molecular Formula: C101H135BrN34O6
• Molecular Weight: 2001.33 g/mol
• Exact Mass: 1999.05
• IUPAC Name: tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine
• SMILES: CCc1cc(C(=O)OC)cc(Br)n1.CCc1cc(C(=O)OC)cc(C)n1.CNc1cc(-c2c(C)noc2C)ccn1.CNc1cc(-c2nnnn2C)cc(C)n1.CNc1cc(-c2noc(C)n2)cc(C)n1.CNc1cc(C2=CCN=C2)ccn1.CNc1cc(C2=NCC=N2)cc(C)n1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C
• InChI: InChI=1S/C11H13N3O.C10H12N4O.C10H12N4.C10H11N3.C10H13NO2.C9H10BrNO2.C9H12N6.4C8H13N3/c1-7-11(8(2)15-14-7)9-4-5-13-10(6-9)12-3;1-6-4-8(5-9(11-3)12-6)10-13-7(2)15-14-10;1-7-5-8(6-9(11-2)14-7)10-12-3-4-13-10;1-11-10-6-8(3-5-13-10)9-2-4-12-7-9;1-4-9-6-8(10(12)13-3)5-7(2)11-9;1-3-7-4-6(9(12)13-2)5-8(10)11-7;1-6-4-7(5-8(10-2)11-6)9-12-13-14-15(9)3;4*1-9-8-5-7(6-3-4-6)10-11(8)2/h4-6H,1-3H3,(H,12,13);4-5H,1-3H3,(H,11,12);3,5-6H,4H2,1-2H3,(H,11,14);2-3,5-7H,4H2,1H3,(H,11,13);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,1-3H3,(H,10,11);4*5-6,9H,3-4H2,1-2H3
• InChIKey: BVTUNZMQEXIYCI-UHFFFAOYSA-N
• XLogP: 16.95
• TPSA: 468.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2001.33
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine?

The IUPAC name of tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine (CID 157477563) is tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine.

What is the SMILES notation for tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine?

The canonical SMILES for tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine is CCc1cc(C(=O)OC)cc(Br)n1.CCc1cc(C(=O)OC)cc(C)n1.CNc1cc(-c2c(C)noc2C)ccn1.CNc1cc(-c2nnnn2C)cc(C)n1.CNc1cc(-c2noc(C)n2)cc(C)n1.CNc1cc(C2=CCN=C2)ccn1.CNc1cc(C2=NCC=N2)cc(C)n1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.

What is the InChIKey of tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine?

The InChIKey is BVTUNZMQEXIYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.C10H12N4O.C10H12N4.C10H11N3.C10H13NO2.C9H10BrNO2.C9H12N6.4C8H13N3/c1-7-11(8(2)15-14-7)9-4-5-13-10(6-9)12-3;1-6-4-8(5-9(11-3)12-6)10-13-7(2)15-14-10;1-7-5-8(6-9(11-2)14-7)10-12-3-4-13-10;1-11-10-6-8(3-5-13-10)9-2-4-12-7-9;1-4-9-6-8(10(12)13-3)5-7(2)11-9;1-3-7-4-6(9(12)13-2)5-8(10)11-7;1-6-4-7(5-8(10-2)11-6)9-12-13-14-15(9)3;4*1-9-8-5-7(6-3-4-6)10-11(8)2/h4-6H,1-3H3,(H,12,13);4-5H,1-3H3,(H,11,12);3,5-6H,4H2,1-2H3,(H,11,14);2-3,5-7H,4H2,1H3,(H,11,13);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;4-5H,1-3H3,(H,10,11);4*5-6,9H,3-4H2,1-2H3.

What are the key properties of tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine?

tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine has a molecular weight of 2001.33 g/mol, XLogP of 16.95, 22 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-2-amine;N,6-dimethyl-4-(1-methyltetrazol-5-yl)pyridin-2-amine;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2-bromo-6-ethylpyridine-4-carboxylate;methyl 2-ethyl-6-methylpyridine-4-carboxylate;N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine is sourced from PubChem (CID 157477563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).