6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C133H116Cl3F15N36O15 — CID 157157075

IUPAC6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCN(C)[C@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C[C@@H]1O.Cc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2C[C@H](O)[C@@H](O)C2)cn1.NC12CC1CN(c1ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc1-c1cncnc1)C2.NC1[C@H]2CN(c3ncc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc3-c3cncnc3)C[C@@H]12.NC1[C@H]2CN(c3ncc(C(=O)Nc4ccc(OC(F)(F)F)cc4)cc3-c3cncnc3)C[C@@H]12.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2Cc3cn[nH]c3C2)c(-c2cncnc2)c1
InChIInChI=1S/C23H23F3N6O3.2C22H19ClF2N6O2.C22H20ClF2N5O4.C22H16F3N7O2.C22H19F3N6O2/c1-31(2)19-11-32(12-20(19)33)21-18(15-8-27-13-28-9-15)7-14(10-29-21)22(34)30-16-3-5-17(6-4-16)35-23(24,25)26;23-22(24,25)33-17-3-1-16(2-4-17)30-20(32)13-5-18(14-7-27-12-28-8-14)19(29-9-13)31-10-15-6-21(15,26)11-31;23-22(24,25)33-15-3-1-14(2-4-15)30-21(32)12-5-16(13-6-27-11-28-7-13)20(29-8-12)31-9-17-18(10-31)19(17)26;1-12-26-8-14(9-27-12)17-6-13(7-28-20(17)30-10-18(31)19(32)11-30)21(33)29-15-2-4-16(5-3-15)34-22(23,24)25;23-22(24,25)34-17-3-1-16(2-4-17)30-21(33)13-5-18(14-6-26-12-27-7-14)20(28-8-13)32-10-15-9-29-31-19(15)11-32;23-22(24,25)33-15-3-1-14(2-4-15)30-21(32)12-5-16(13-6-27-11-28-7-13)20(29-8-12)31-9-17-18(10-31)19(17)26/h3-10,13,19-20,33H,11-12H2,1-2H3,(H,30,34);1-5,7-9,12,15H,6,10-11,26H2,(H,30,32);1-8,11,17-19H,9-10,26H2,(H,30,32);2-9,18-19,31-32H,10-11H2,1H3,(H,29,33);1-9,12H,10-11H2,(H,29,31)(H,30,33);1-8,11,17-19H,9-10,26H2,(H,30,32)/t19-,20-;;17-,18+,19?;18-,19-;;17-,18+,19?/m0..0../s1
InChIKeyALXYSCBDRCLJEF-MLPLOQTGSA-N
MW2849.96 g/mol
LogP19.47
Rot. Bonds34

About 6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 157157075) has the molecular formula C133H116Cl3F15N36O15 and a molecular weight of 2849.96 g/mol. Its IUPAC name is 6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID157157075
Molecular FormulaC133H116Cl3F15N36O15
Molecular Weight2849.96 g/mol
Exact Mass2846.82
IUPAC Name6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCN(C)[C@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C[C@@H]1O.Cc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2C[C@H](O)[C@@H](O)C2)cn1.NC12CC1CN(c1ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc1-c1cncnc1)C2.NC1[C@H]2CN(c3ncc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc3-c3cncnc3)C[C@@H]12.NC1[C@H]2CN(c3ncc(C(=O)Nc4ccc(OC(F)(F)F)cc4)cc3-c3cncnc3)C[C@@H]12.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2Cc3cn[nH]c3C2)c(-c2cncnc2)c1
InChIInChI=1S/C23H23F3N6O3.2C22H19ClF2N6O2.C22H20ClF2N5O4.C22H16F3N7O2.C22H19F3N6O2/c1-31(2)19-11-32(12-20(19)33)21-18(15-8-27-13-28-9-15)7-14(10-29-21)22(34)30-16-3-5-17(6-4-16)35-23(24,25)26;23-22(24,25)33-17-3-1-16(2-4-17)30-20(32)13-5-18(14-7-27-12-28-8-14)19(29-9-13)31-10-15-6-21(15,26)11-31;23-22(24,25)33-15-3-1-14(2-4-15)30-21(32)12-5-16(13-6-27-11-28-7-13)20(29-8-12)31-9-17-18(10-31)19(17)26;1-12-26-8-14(9-27-12)17-6-13(7-28-20(17)30-10-18(31)19(32)11-30)21(33)29-15-2-4-16(5-3-15)34-22(23,24)25;23-22(24,25)34-17-3-1-16(2-4-17)30-21(33)13-5-18(14-6-26-12-27-7-14)20(28-8-13)32-10-15-9-29-31-19(15)11-32;23-22(24,25)33-15-3-1-14(2-4-15)30-21(32)12-5-16(13-6-27-11-28-7-13)20(29-8-12)31-9-17-18(10-31)19(17)26/h3-10,13,19-20,33H,11-12H2,1-2H3,(H,30,34);1-5,7-9,12,15H,6,10-11,26H2,(H,30,32);1-8,11,17-19H,9-10,26H2,(H,30,32);2-9,18-19,31-32H,10-11H2,1H3,(H,29,33);1-9,12H,10-11H2,(H,29,31)(H,30,33);1-8,11,17-19H,9-10,26H2,(H,30,32)/t19-,20-;;17-,18+,19?;18-,19-;;17-,18+,19?/m0..0../s1
InChIKeyALXYSCBDRCLJEF-MLPLOQTGSA-N
XLogP19.47
TPSA652.11 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds34
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002849.96
LogP ≤ 519.47
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 157157075) is 6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CN(C)[C@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C[C@@H]1O.Cc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2C[C@H](O)[C@@H](O)C2)cn1.NC12CC1CN(c1ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc1-c1cncnc1)C2.NC1[C@H]2CN(c3ncc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc3-c3cncnc3)C[C@@H]12.NC1[C@H]2CN(c3ncc(C(=O)Nc4ccc(OC(F)(F)F)cc4)cc3-c3cncnc3)C[C@@H]12.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2Cc3cn[nH]c3C2)c(-c2cncnc2)c1.
What is the InChIKey of 6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is ALXYSCBDRCLJEF-MLPLOQTGSA-N. The full InChI is InChI=1S/C23H23F3N6O3.2C22H19ClF2N6O2.C22H20ClF2N5O4.C22H16F3N7O2.C22H19F3N6O2/c1-31(2)19-11-32(12-20(19)33)21-18(15-8-27-13-28-9-15)7-14(10-29-21)22(34)30-16-3-5-17(6-4-16)35-23(24,25)26;23-22(24,25)33-17-3-1-16(2-4-17)30-20(32)13-5-18(14-7-27-12-28-8-14)19(29-9-13)31-10-15-6-21(15,26)11-31;23-22(24,25)33-15-3-1-14(2-4-15)30-21(32)12-5-16(13-6-27-11-28-7-13)20(29-8-12)31-9-17-18(10-31)19(17)26;1-12-26-8-14(9-27-12)17-6-13(7-28-20(17)30-10-18(31)19(32)11-30)21(33)29-15-2-4-16(5-3-15)34-22(23,24)25;23-22(24,25)34-17-3-1-16(2-4-17)30-21(33)13-5-18(14-6-26-12-27-7-14)20(28-8-13)32-10-15-9-29-31-19(15)11-32;23-22(24,25)33-15-3-1-14(2-4-15)30-21(32)12-5-16(13-6-27-11-28-7-13)20(29-8-12)31-9-17-18(10-31)19(17)26/h3-10,13,19-20,33H,11-12H2,1-2H3,(H,30,34);1-5,7-9,12,15H,6,10-11,26H2,(H,30,32);1-8,11,17-19H,9-10,26H2,(H,30,32);2-9,18-19,31-32H,10-11H2,1H3,(H,29,33);1-9,12H,10-11H2,(H,29,31)(H,30,33);1-8,11,17-19H,9-10,26H2,(H,30,32)/t19-,20-;;17-,18+,19?;18-,19-;;17-,18+,19?/m0..0../s1.
What are the key properties of 6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 2849.96 g/mol, XLogP of 19.47, 34 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)pyridine-3-carboxamide;6-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 157157075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).