N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

C24H24ClF3N10O3S — CID 25153451

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 25153451) has the molecular formula C24H24ClF3N10O3S and a molecular weight of 625.04 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 25153451
• Molecular Formula: C24H24ClF3N10O3S
• Molecular Weight: 625.04 g/mol
• Exact Mass: 624.14
• IUPAC Name: N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
• SMILES: CC(NC(=O)c1ncnc2c1nnn2CCCN1CCOCC1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
• InChI: InChI=1S/C24H24ClF3N10O3S/c1-13(23-30-11-16(42-23)21(39)34-17-9-14(24(26,27)28)15(25)10-29-17)33-22(40)19-18-20(32-12-31-19)38(36-35-18)4-2-3-37-5-7-41-8-6-37/h9-13H,2-8H2,1H3,(H,33,40)(H,29,34,39)
• InChIKey: RCWAIGHFDMJYOS-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 152.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.04
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (CID 25153451) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1ncnc2c1nnn2CCCN1CCOCC1)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-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The InChIKey is RCWAIGHFDMJYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N10O3S/c1-13(23-30-11-16(42-23)21(39)34-17-9-14(24(26,27)28)15(25)10-29-17)33-22(40)19-18-20(32-12-31-19)38(36-35-18)4-2-3-37-5-7-41-8-6-37/h9-13H,2-8H2,1H3,(H,33,40)(H,29,34,39).

What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 625.04 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[3-(3-morpholin-4-ylpropyl)triazolo[4,5-d]pyrimidine-7-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25153451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).