N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

C137H128ClF18N31O9S3 — CID 158647985

About N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (PubChem CID 158647985) has the molecular formula C137H128ClF18N31O9S3 and a molecular weight of 2826.36 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 158647985
• Molecular Formula: C137H128ClF18N31O9S3
• Molecular Weight: 2826.36 g/mol
• Exact Mass: 2823.91
• IUPAC Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
• SMILES: C=C(C)NC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncnc2)C1.CC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)c(F)c3)cc2-c2cncnc2)C1.CC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cc2-c2cncnc2)C1
• InChI: InChI=1S/C25H25ClF2N6O2.C23H21F4N5O2.C23H22F3N5OS.C22H20F3N5O2.2C22H20F3N5OS/c1-16(2)31-10-17-7-8-34(14-17)23-22(19-11-29-15-30-12-19)9-18(13-32-23)24(35)33-20-3-5-21(6-4-20)36-25(26,27)28;1-2-14-5-6-32(12-14)21-18(16-9-28-13-29-10-16)7-15(11-30-21)22(33)31-17-3-4-20(19(24)8-17)34-23(25,26)27;1-2-15-7-8-31(13-15)21-20(17-10-27-14-28-11-17)9-16(12-29-21)22(32)30-18-3-5-19(6-4-18)33-23(24,25)26;3*1-14-6-7-30(12-14)20-19(16-9-26-13-27-10-16)8-15(11-28-20)21(31)29-17-2-4-18(5-3-17)32-22(23,24)25/h3-6,9,11-13,15,17,31H,1,7-8,10,14H2,2H3,(H,33,35);3-4,7-11,13-14H,2,5-6,12H2,1H3,(H,31,33);3-6,9-12,14-15H,2,7-8,13H2,1H3,(H,30,32);3*2-5,8-11,13-14H,6-7,12H2,1H3,(H,29,31)/t17-;14-;15-;3*14-/m100110/s1
• InChIKey: IBEXKJSMAPEBQV-HWRVAIEXSA-N
• XLogP: 30.65
• TPSA: 465.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2826.36
LogP ≤ 5	30.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (CID 158647985) is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide is C=C(C)NC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncnc2)C1.CC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)c(F)c3)cc2-c2cncnc2)C1.CC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cc2-c2cncnc2)C1.C[C@H]1CCN(c2ncc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cc2-c2cncnc2)C1.

What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?

The InChIKey is IBEXKJSMAPEBQV-HWRVAIEXSA-N. The full InChI is InChI=1S/C25H25ClF2N6O2.C23H21F4N5O2.C23H22F3N5OS.C22H20F3N5O2.2C22H20F3N5OS/c1-16(2)31-10-17-7-8-34(14-17)23-22(19-11-29-15-30-12-19)9-18(13-32-23)24(35)33-20-3-5-21(6-4-20)36-25(26,27)28;1-2-14-5-6-32(12-14)21-18(16-9-28-13-29-10-16)7-15(11-30-21)22(33)31-17-3-4-20(19(24)8-17)34-23(25,26)27;1-2-15-7-8-31(13-15)21-20(17-10-27-14-28-11-17)9-16(12-29-21)22(32)30-18-3-5-19(6-4-18)33-23(24,25)26;3*1-14-6-7-30(12-14)20-19(16-9-26-13-27-10-16)8-15(11-28-20)21(31)29-17-2-4-18(5-3-17)32-22(23,24)25/h3-6,9,11-13,15,17,31H,1,7-8,10,14H2,2H3,(H,33,35);3-4,7-11,13-14H,2,5-6,12H2,1H3,(H,31,33);3-6,9-12,14-15H,2,7-8,13H2,1H3,(H,30,32);3*2-5,8-11,13-14H,6-7,12H2,1H3,(H,29,31)/t17-;14-;15-;3*14-/m100110/s1.

What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide has a molecular weight of 2826.36 g/mol, XLogP of 30.65, 36 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-[(prop-1-en-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 158647985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).