4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide)

C79H84F2N32O5S3 — CID 158379027

About 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide)

4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide) (PubChem CID 158379027) has the molecular formula C79H84F2N32O5S3 and a molecular weight of 1695.96 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide).

Molecular Properties

• Compound Name: 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide)
• PubChem CID: 158379027
• Molecular Formula: C79H84F2N32O5S3
• Molecular Weight: 1695.96 g/mol
• Exact Mass: 1694.64
• IUPAC Name: 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide)
• SMILES: CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(F)cn2)cs1.CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1.CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1.O=C(O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1
• InChI: InChI=1S/2C24H28N10OS.C19H18FN9OS.C12H10FN3O2/c2*1-15(2)34-22(29-30-31-34)24-28-21(13-36-24)27-23(35)17-10-19(33-12-18(26-14-33)16-6-7-16)20(11-25-17)32-8-4-3-5-9-32;1-10(2)29-17(25-26-27-29)19-24-16(8-31-19)23-18(30)13-5-15(12(20)6-21-13)28-7-14(22-9-28)11-3-4-11;13-8-4-14-9(12(17)18)3-11(8)16-5-10(15-6-16)7-1-2-7/h2*10-16H,3-9H2,1-2H3,(H,27,35);5-11H,3-4H2,1-2H3,(H,23,30);3-7H,1-2H2,(H,17,18)
• InChIKey: GVODRCHOBORXOE-UHFFFAOYSA-N
• XLogP: 13.37
• TPSA: 423.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1695.96
LogP ≤ 5	13.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide)?

The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide) (CID 158379027) is 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide).

What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide)?

The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide) is CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(F)cn2)cs1.CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1.CC(C)n1nnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1.O=C(O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1.

What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide)?

The InChIKey is GVODRCHOBORXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H28N10OS.C19H18FN9OS.C12H10FN3O2/c2*1-15(2)34-22(29-30-31-34)24-28-21(13-36-24)27-23(35)17-10-19(33-12-18(26-14-33)16-6-7-16)20(11-25-17)32-8-4-3-5-9-32;1-10(2)29-17(25-26-27-29)19-24-16(8-31-19)23-18(30)13-5-15(12(20)6-21-13)28-7-14(22-9-28)11-3-4-11;13-8-4-14-9(12(17)18)3-11(8)16-5-10(15-6-16)7-1-2-7/h2*10-16H,3-9H2,1-2H3,(H,27,35);5-11H,3-4H2,1-2H3,(H,23,30);3-7H,1-2H2,(H,17,18).

What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide)?

4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide) has a molecular weight of 1695.96 g/mol, XLogP of 13.37, 23 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide) is sourced from PubChem (CID 158379027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).