2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

C24H25F3N8O4S — CID 139564960

IUPAC2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(N2CCC(CC(N)=O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1
InChIInChI=1S/C24H25F3N8O4S/c1-12(23-30-10-17(40-23)22(39)34-19-7-14(24(25,26)27)16(36)9-29-19)33-21(38)15-8-20(32-11-31-15)35-4-2-13(3-5-35)6-18(28)37/h7-13,36H,2-6H2,1H3,(H2,28,37)(H,33,38)(H,29,34,39)/t12-/m1/s1
InChIKeyQPGBVCJXEYFUOW-GFCCVEGCSA-N
MW578.58 g/mol
LogP2.89
Rot. Bonds8

About 2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 139564960) has the molecular formula C24H25F3N8O4S and a molecular weight of 578.58 g/mol. Its IUPAC name is 2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID139564960
Molecular FormulaC24H25F3N8O4S
Molecular Weight578.58 g/mol
Exact Mass578.17
IUPAC Name2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(N2CCC(CC(N)=O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1
InChIInChI=1S/C24H25F3N8O4S/c1-12(23-30-10-17(40-23)22(39)34-19-7-14(24(25,26)27)16(36)9-29-19)33-21(38)15-8-20(32-11-31-15)35-4-2-13(3-5-35)6-18(28)37/h7-13,36H,2-6H2,1H3,(H2,28,37)(H,33,38)(H,29,34,39)/t12-/m1/s1
InChIKeyQPGBVCJXEYFUOW-GFCCVEGCSA-N
XLogP2.89
TPSA176.32 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.58
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-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-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (CID 139564960) is 2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is C[C@@H](NC(=O)c1cc(N2CCC(CC(N)=O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1.
What is the InChIKey of 2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QPGBVCJXEYFUOW-GFCCVEGCSA-N. The full InChI is InChI=1S/C24H25F3N8O4S/c1-12(23-30-10-17(40-23)22(39)34-19-7-14(24(25,26)27)16(36)9-29-19)33-21(38)15-8-20(32-11-31-15)35-4-2-13(3-5-35)6-18(28)37/h7-13,36H,2-6H2,1H3,(H2,28,37)(H,33,38)(H,29,34,39)/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 578.58 g/mol, XLogP of 2.89, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[[6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 139564960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).