4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine

C44H48N18O3 — CID 158191845

About 4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine

4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine (PubChem CID 158191845) has the molecular formula C44H48N18O3 and a molecular weight of 876.99 g/mol. Its IUPAC name is 4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine
• PubChem CID: 158191845
• Molecular Formula: C44H48N18O3
• Molecular Weight: 876.99 g/mol
• Exact Mass: 876.42
• IUPAC Name: 4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine
• SMILES: CC(C)c1nnnn1-c1cccc(N)n1.Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)O)cc1-c1cnn(C2CC2)c1
• InChI: InChI=1S/C22H23N9O.C13H13N3O2.C9H12N6/c1-13(2)21-27-28-29-31(21)20-6-4-5-19(25-20)26-22(32)18-9-17(14(3)10-23-18)15-11-24-30(12-15)16-7-8-16;1-8-5-14-12(13(17)18)4-11(8)9-6-15-16(7-9)10-2-3-10;1-6(2)9-12-13-14-15(9)8-5-3-4-7(10)11-8/h4-6,9-13,16H,7-8H2,1-3H3,(H,25,26,32);4-7,10H,2-3H2,1H3,(H,17,18);3-6H,1-2H3,(H2,10,11)
• InChIKey: FZVWDCUORYDTMG-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 266.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	876.99
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine?

The IUPAC name of 4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine (CID 158191845) is 4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine.

What is the SMILES notation for 4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine?

The canonical SMILES for 4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine is CC(C)c1nnnn1-c1cccc(N)n1.Cc1cnc(C(=O)Nc2cccc(-n3nnnc3C(C)C)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)O)cc1-c1cnn(C2CC2)c1.

What is the InChIKey of 4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine?

The InChIKey is FZVWDCUORYDTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O.C13H13N3O2.C9H12N6/c1-13(2)21-27-28-29-31(21)20-6-4-5-19(25-20)26-22(32)18-9-17(14(3)10-23-18)15-11-24-30(12-15)16-7-8-16;1-8-5-14-12(13(17)18)4-11(8)9-6-15-16(7-9)10-2-3-10;1-6(2)9-12-13-14-15(9)8-5-3-4-7(10)11-8/h4-6,9-13,16H,7-8H2,1-3H3,(H,25,26,32);4-7,10H,2-3H2,1H3,(H,17,18);3-6H,1-2H3,(H2,10,11).

What are the key properties of 4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine?

4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine has a molecular weight of 876.99 g/mol, XLogP of 6.38, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 158191845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).