(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate

C70H85N27O7 — CID 165046356

About (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate

(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate (PubChem CID 165046356) has the molecular formula C70H85N27O7 and a molecular weight of 1416.63 g/mol. Its IUPAC name is (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate.

Molecular Properties

• Compound Name: (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate
• PubChem CID: 165046356
• Molecular Formula: C70H85N27O7
• Molecular Weight: 1416.63 g/mol
• Exact Mass: 1415.71
• IUPAC Name: (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate
• SMILES: COC(=O)c1cc(-c2cnn(C(C)(C)C)c2)c(C)cn1.C[C@H](CO)n1nnnc1-c1cccc(N)n1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(C)(C)C)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(C)(C)C)c1
• InChI: InChI=1S/2C23H27N9O2.C15H19N3O2.C9H12N6O/c2*1-14-10-24-19(9-17(14)16-11-25-31(12-16)23(3,4)5)22(34)27-20-8-6-7-18(26-20)21-28-29-30-32(21)15(2)13-33;1-10-7-16-13(14(19)20-5)6-12(10)11-8-17-18(9-11)15(2,3)4;1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7/h2*6-12,15,33H,13H2,1-5H3,(H,26,27,34);6-9H,1-5H3;2-4,6,16H,5H2,1H3,(H2,10,11)/t2*15-;;6-/m11.1/s1
• InChIKey: OYSJOXNWZHAANA-TVPMRYCHSA-N
• XLogP: 8.39
• TPSA: 432.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1416.63
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate?

The IUPAC name of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate (CID 165046356) is (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate.

What is the SMILES notation for (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate?

The canonical SMILES for (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate is COC(=O)c1cc(-c2cnn(C(C)(C)C)c2)c(C)cn1.C[C@H](CO)n1nnnc1-c1cccc(N)n1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(C)(C)C)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(C)(C)C)c1.

What is the InChIKey of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate?

The InChIKey is OYSJOXNWZHAANA-TVPMRYCHSA-N. The full InChI is InChI=1S/2C23H27N9O2.C15H19N3O2.C9H12N6O/c2*1-14-10-24-19(9-17(14)16-11-25-31(12-16)23(3,4)5)22(34)27-20-8-6-7-18(26-20)21-28-29-30-32(21)15(2)13-33;1-10-7-16-13(14(19)20-5)6-12(10)11-8-17-18(9-11)15(2,3)4;1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7/h2*6-12,15,33H,13H2,1-5H3,(H,26,27,34);6-9H,1-5H3;2-4,6,16H,5H2,1H3,(H2,10,11)/t2*15-;;6-/m11.1/s1.

What are the key properties of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate?

(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate has a molecular weight of 1416.63 g/mol, XLogP of 8.39, 17 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(4-(1-tert-butylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 165046356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).