4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide

C24H25N9O2S — CID 90237349

About 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide

4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 90237349) has the molecular formula C24H25N9O2S and a molecular weight of 503.59 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide
• PubChem CID: 90237349
• Molecular Formula: C24H25N9O2S
• Molecular Weight: 503.59 g/mol
• Exact Mass: 503.19
• IUPAC Name: 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide
• SMILES: O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-c2ncc(C3CC3)[nH]2)c(N2CCOCC2)cn1
• InChI: InChI=1S/C24H25N9O2S/c34-23(29-20-12-36-24(30-20)22-31-27-13-33(22)15-3-4-15)17-9-16(21-26-10-18(28-21)14-1-2-14)19(11-25-17)32-5-7-35-8-6-32/h9-15H,1-8H2,(H,26,28)(H,29,34)
• InChIKey: FAPCGGAZAGMMLR-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 126.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.59
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide?

The IUPAC name of 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide (CID 90237349) is 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide.

What is the SMILES notation for 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide?

The canonical SMILES for 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide is O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-c2ncc(C3CC3)[nH]2)c(N2CCOCC2)cn1.

What is the InChIKey of 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide?

The InChIKey is FAPCGGAZAGMMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O2S/c34-23(29-20-12-36-24(30-20)22-31-27-13-33(22)15-3-4-15)17-9-16(21-26-10-18(28-21)14-1-2-14)19(11-25-17)32-5-7-35-8-6-32/h9-15H,1-8H2,(H,26,28)(H,29,34).

What are the key properties of 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide?

4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 503.59 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-cyclopropyl-1H-imidazol-2-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 90237349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).