4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide

C26H25ClF3N5O4S — CID 176833935

IUPAC4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)[C@@H]1CCC[C@](O)(C(F)(F)F)C1)C2
InChIInChI=1S/C26H25ClF3N5O4S/c1-13-6-15(16-7-21(27)32-10-19(16)39-2)17(9-31-13)22(36)34-24-33-18-11-35(12-20(18)40-24)23(37)14-4-3-5-25(38,8-14)26(28,29)30/h6-7,9-10,14,38H,3-5,8,11-12H2,1-2H3,(H,33,34,36)/t14-,25-/m1/s1
InChIKeyQARTUAURCKDHAH-DLUDVSRJSA-N
MW596.03 g/mol
LogP5.15
Rot. Bonds5

About 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide

4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 176833935) has the molecular formula C26H25ClF3N5O4S and a molecular weight of 596.03 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
PubChem CID176833935
Molecular FormulaC26H25ClF3N5O4S
Molecular Weight596.03 g/mol
Exact Mass595.13
IUPAC Name4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)[C@@H]1CCC[C@](O)(C(F)(F)F)C1)C2
InChIInChI=1S/C26H25ClF3N5O4S/c1-13-6-15(16-7-21(27)32-10-19(16)39-2)17(9-31-13)22(36)34-24-33-18-11-35(12-20(18)40-24)23(37)14-4-3-5-25(38,8-14)26(28,29)30/h6-7,9-10,14,38H,3-5,8,11-12H2,1-2H3,(H,33,34,36)/t14-,25-/m1/s1
InChIKeyQARTUAURCKDHAH-DLUDVSRJSA-N
XLogP5.15
TPSA117.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.03
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide with MolForge

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Related Compounds

4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-[3-(trifluoromethyl)cyclobutanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176833610
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-[(3R)-oxane-3-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176832513
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(3-cyanocyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176833529
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,2S)-2-(difluoromethyl)cyclopropanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176834076
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[4-methoxy-6-(trifluoromethyl)pyridine-3-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176832995
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[3-methoxy-5-(trifluoromethyl)pyrazine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176833634
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[2-methoxy-5-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176833857
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-methoxy-2-methylpyrimidine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176834352
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176833203
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[3-chloro-6-(trifluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176833307
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-[5-(trifluoromethoxy)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176834359
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[5-[1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176832968

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 176833935) is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide is COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)[C@@H]1CCC[C@](O)(C(F)(F)F)C1)C2.
What is the InChIKey of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is QARTUAURCKDHAH-DLUDVSRJSA-N. The full InChI is InChI=1S/C26H25ClF3N5O4S/c1-13-6-15(16-7-21(27)32-10-19(16)39-2)17(9-31-13)22(36)34-24-33-18-11-35(12-20(18)40-24)23(37)14-4-3-5-25(38,8-14)26(28,29)30/h6-7,9-10,14,38H,3-5,8,11-12H2,1-2H3,(H,33,34,36)/t14-,25-/m1/s1.
What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide?
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 596.03 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(1R,3R)-3-hydroxy-3-(trifluoromethyl)cyclohexanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176833935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).