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

C23H17Cl2F3N8O3S — CID 25159728

IUPAC2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Nc2ncnc(C(=O)NC(C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)c2Cl)cn1
InChIInChI=1S/C23H17Cl2F3N8O3S/c1-10(22-31-8-14(40-22)20(37)36-15-5-12(23(26,27)28)13(24)7-29-15)34-21(38)18-17(25)19(33-9-32-18)35-11-3-4-16(39-2)30-6-11/h3-10H,1-2H3,(H,34,38)(H,29,36,37)(H,32,33,35)
InChIKeyNNZOUBOELQAJSZ-UHFFFAOYSA-N
MW613.41 g/mol
LogP5.54
Rot. Bonds8

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

2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 25159728) has the molecular formula C23H17Cl2F3N8O3S and a molecular weight of 613.41 g/mol. Its IUPAC name is 2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID25159728
Molecular FormulaC23H17Cl2F3N8O3S
Molecular Weight613.41 g/mol
Exact Mass612.05
IUPAC Name2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Nc2ncnc(C(=O)NC(C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)c2Cl)cn1
InChIInChI=1S/C23H17Cl2F3N8O3S/c1-10(22-31-8-14(40-22)20(37)36-15-5-12(23(26,27)28)13(24)7-29-15)34-21(38)18-17(25)19(33-9-32-18)35-11-3-4-16(39-2)30-6-11/h3-10H,1-2H3,(H,34,38)(H,29,36,37)(H,32,33,35)
InChIKeyNNZOUBOELQAJSZ-UHFFFAOYSA-N
XLogP5.54
TPSA143.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.41
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (CID 25159728) is 2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is COc1ccc(Nc2ncnc(C(=O)NC(C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)c2Cl)cn1.
What is the InChIKey of 2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NNZOUBOELQAJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F3N8O3S/c1-10(22-31-8-14(40-22)20(37)36-15-5-12(23(26,27)28)13(24)7-29-15)34-21(38)18-17(25)19(33-9-32-18)35-11-3-4-16(39-2)30-6-11/h3-10H,1-2H3,(H,34,38)(H,29,36,37)(H,32,33,35).
What are the key properties of 2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 613.41 g/mol, XLogP of 5.54, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-chloro-6-[(6-methoxy-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25159728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).