4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine

C73H87BN22O10 — CID 160904840

About 4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine

4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine (PubChem CID 160904840) has the molecular formula C73H87BN22O10 and a molecular weight of 1443.45 g/mol. Its IUPAC name is 4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine
• PubChem CID: 160904840
• Molecular Formula: C73H87BN22O10
• Molecular Weight: 1443.45 g/mol
• Exact Mass: 1442.71
• IUPAC Name: 4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine
• SMILES: CC(C)n1nnnc1-c1cccc(N)n1.CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)ccn2)n1.CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C.CCOC(=O)c1cc(-c2cnn(C3CC3)c2)ccn1.CCOC(=O)c1cc(=O)cc[nH]1.CCOC(=O)c1cc(C)ccn1
• InChI: InChI=1S/C21H21N9O.C14H15N3O2.C12H19BN2O2.C9H12N6.C9H11NO2.C8H9NO3/c1-13(2)30-20(26-27-28-30)17-4-3-5-19(24-17)25-21(31)18-10-14(8-9-22-18)15-11-23-29(12-15)16-6-7-16;1-2-19-14(18)13-7-10(5-6-15-13)11-8-16-17(9-11)12-3-4-12;1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10;1-6(2)15-9(12-13-14-15)7-4-3-5-8(10)11-7;1-3-12-9(11)8-6-7(2)4-5-10-8;1-2-12-8(11)7-5-6(10)3-4-9-7/h3-5,8-13,16H,6-7H2,1-2H3,(H,24,25,31);5-9,12H,2-4H2,1H3;7-8,10H,5-6H2,1-4H3;3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;3-5H,2H2,1H3,(H,9,10)
• InChIKey: SPZQKRAIQDNCHS-UHFFFAOYSA-N
• XLogP: 10.15
• TPSA: 390.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1443.45
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine?

The IUPAC name of 4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine (CID 160904840) is 4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine.

What is the SMILES notation for 4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine?

The canonical SMILES for 4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine is CC(C)n1nnnc1-c1cccc(N)n1.CC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)ccn2)n1.CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C.CCOC(=O)c1cc(-c2cnn(C3CC3)c2)ccn1.CCOC(=O)c1cc(=O)cc[nH]1.CCOC(=O)c1cc(C)ccn1.

What is the InChIKey of 4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine?

The InChIKey is SPZQKRAIQDNCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O.C14H15N3O2.C12H19BN2O2.C9H12N6.C9H11NO2.C8H9NO3/c1-13(2)30-20(26-27-28-30)17-4-3-5-19(24-17)25-21(31)18-10-14(8-9-22-18)15-11-23-29(12-15)16-6-7-16;1-2-19-14(18)13-7-10(5-6-15-13)11-8-16-17(9-11)12-3-4-12;1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10;1-6(2)15-9(12-13-14-15)7-4-3-5-8(10)11-7;1-3-12-9(11)8-6-7(2)4-5-10-8;1-2-12-8(11)7-5-6(10)3-4-9-7/h3-5,8-13,16H,6-7H2,1-2H3,(H,24,25,31);5-9,12H,2-4H2,1H3;7-8,10H,5-6H2,1-4H3;3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;3-5H,2H2,1H3,(H,9,10).

What are the key properties of 4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine?

4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine has a molecular weight of 1443.45 g/mol, XLogP of 10.15, 18 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-cyclopropylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)pyridine-2-carboxylate;ethyl 4-methylpyridine-2-carboxylate;ethyl 4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 160904840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).