N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

C26H22ClF3N8O3S — CID 25159995

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 25159995) has the molecular formula C26H22ClF3N8O3S and a molecular weight of 619.03 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 25159995
• Molecular Formula: C26H22ClF3N8O3S
• Molecular Weight: 619.03 g/mol
• Exact Mass: 618.12
• IUPAC Name: N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
• SMILES: CC(NC(=O)c1cc(-c2ccc(N3CCOCC3)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
• InChI: InChI=1S/C26H22ClF3N8O3S/c1-14(25-33-12-20(42-25)24(40)37-21-8-16(26(28,29)30)17(27)11-31-21)36-23(39)19-9-18(34-13-35-19)15-2-3-22(32-10-15)38-4-6-41-7-5-38/h2-3,8-14H,4-7H2,1H3,(H,36,39)(H,31,37,40)
• InChIKey: HYEALECMGFFJJP-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 135.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.03
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (CID 25159995) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cc(-c2ccc(N3CCOCC3)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.

What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The InChIKey is HYEALECMGFFJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N8O3S/c1-14(25-33-12-20(42-25)24(40)37-21-8-16(26(28,29)30)17(27)11-31-21)36-23(39)19-9-18(34-13-35-19)15-2-3-22(32-10-15)38-4-6-41-7-5-38/h2-3,8-14H,4-7H2,1H3,(H,36,39)(H,31,37,40).

What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 619.03 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25159995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).