4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

C25H26F3N9O2S — CID 126761868

IUPAC4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESC[C@H](Cn1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(C)(O)C3)cn2)cs1)C(F)(F)F
InChIInChI=1S/C25H26F3N9O2S/c1-14(25(26,27)28)7-36-13-31-34-21(36)23-33-20(9-40-23)32-22(38)16-5-18(35-8-17(30-12-35)15-3-4-15)19(6-29-16)37-10-24(2,39)11-37/h5-6,8-9,12-15,39H,3-4,7,10-11H2,1-2H3,(H,32,38)/t14-/m1/s1
InChIKeyNBZQBXLHGTYDST-CQSZACIVSA-N
MW573.61 g/mol
LogP3.88
Rot. Bonds8

About 4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide

4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 126761868) has the molecular formula C25H26F3N9O2S and a molecular weight of 573.61 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
PubChem CID126761868
Molecular FormulaC25H26F3N9O2S
Molecular Weight573.61 g/mol
Exact Mass573.19
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESC[C@H](Cn1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(C)(O)C3)cn2)cs1)C(F)(F)F
InChIInChI=1S/C25H26F3N9O2S/c1-14(25(26,27)28)7-36-13-31-34-21(36)23-33-20(9-40-23)32-22(38)16-5-18(35-8-17(30-12-35)15-3-4-15)19(6-29-16)37-10-24(2,39)11-37/h5-6,8-9,12-15,39H,3-4,7,10-11H2,1-2H3,(H,32,38)/t14-/m1/s1
InChIKeyNBZQBXLHGTYDST-CQSZACIVSA-N
XLogP3.88
TPSA126.88 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.61
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide (CID 126761868) is 4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is C[C@H](Cn1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(C)(O)C3)cn2)cs1)C(F)(F)F.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The InChIKey is NBZQBXLHGTYDST-CQSZACIVSA-N. The full InChI is InChI=1S/C25H26F3N9O2S/c1-14(25(26,27)28)7-36-13-31-34-21(36)23-33-20(9-40-23)32-22(38)16-5-18(35-8-17(30-12-35)15-3-4-15)19(6-29-16)37-10-24(2,39)11-37/h5-6,8-9,12-15,39H,3-4,7,10-11H2,1-2H3,(H,32,38)/t14-/m1/s1.
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide?
4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 573.61 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-5-(3-hydroxy-3-methylazetidin-1-yl)-N-[2-[4-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 126761868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).