3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C158H167F13N30O15 — CID 159437123

IUPAC3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC=C(/C=C(\C)c1cnc(OCCO)c(N2CCOCC2)c1)NC(=O)c1cc(CN(C)C)cc(C(F)(F)F)c1.Cc1ccc(NC(=O)c2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc2c(c1)C(C)(C)C(=O)N2C.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(C(C)(C)O)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1
InChIInChI=1S/C28H29F3N4O2.C28H33FN4O3.C27H33F3N4O4.C26H27FN6O2.C25H24F2N6O2.C24H21F3N6O2/c1-15-7-8-20(13-21(15)17-11-22-23(33-14-17)35(6)25(37)26(22,2)3)34-24(36)16-9-18(27(4,5)32)12-19(10-16)28(29,30)31;1-18-6-7-21(32-26(34)19-8-9-30-24(15-19)27(2,3)29)16-22(18)20-14-23(33-10-12-36-13-11-33)25(31-17-20)28(4,5)35;1-18(22-15-24(34-5-8-37-9-6-34)26(31-16-22)38-10-7-35)11-19(2)32-25(36)21-12-20(17-33(3)4)13-23(14-21)27(28,29)30;1-16-4-5-18(30-25(34)17-6-8-28-21(14-17)26(2,3)27)15-19(16)23-31-20-7-9-29-22(20)24(32-23)33-10-12-35-13-11-33;1-15-3-4-17(30-24(34)16-5-7-28-20(13-16)25(2,26)27)14-18(15)22-31-19-6-8-29-21(19)23(32-22)33-9-11-35-12-10-33;1-14-2-3-16(30-23(34)15-4-6-28-19(12-15)24(25,26)27)13-17(14)21-31-18-5-7-29-20(18)22(32-21)33-8-10-35-11-9-33/h7-14H,32H2,1-6H3,(H,34,36);6-9,14-17,35H,10-13H2,1-5H3,(H,32,34);11-16,35H,2,5-10,17H2,1,3-4H3,(H,32,36);4-9,14-15,29H,10-13H2,1-3H3,(H,30,34);3-8,13-14,29H,9-12H2,1-2H3,(H,30,34);2-7,12-13,29H,8-11H2,1H3,(H,30,34)/b;;18-11+;;;
InChIKeyLRSGOLMUSKZMLC-ZUFCKBSISA-N
MW2973.24 g/mol
LogP28.05
Rot. Bonds34

About 3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 159437123) has the molecular formula C158H167F13N30O15 and a molecular weight of 2973.24 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID159437123
Molecular FormulaC158H167F13N30O15
Molecular Weight2973.24 g/mol
Exact Mass2971.30
IUPAC Name3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC=C(/C=C(\C)c1cnc(OCCO)c(N2CCOCC2)c1)NC(=O)c1cc(CN(C)C)cc(C(F)(F)F)c1.Cc1ccc(NC(=O)c2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc2c(c1)C(C)(C)C(=O)N2C.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(C(C)(C)O)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1
InChIInChI=1S/C28H29F3N4O2.C28H33FN4O3.C27H33F3N4O4.C26H27FN6O2.C25H24F2N6O2.C24H21F3N6O2/c1-15-7-8-20(13-21(15)17-11-22-23(33-14-17)35(6)25(37)26(22,2)3)34-24(36)16-9-18(27(4,5)32)12-19(10-16)28(29,30)31;1-18-6-7-21(32-26(34)19-8-9-30-24(15-19)27(2,3)29)16-22(18)20-14-23(33-10-12-36-13-11-33)25(31-17-20)28(4,5)35;1-18(22-15-24(34-5-8-37-9-6-34)26(31-16-22)38-10-7-35)11-19(2)32-25(36)21-12-20(17-33(3)4)13-23(14-21)27(28,29)30;1-16-4-5-18(30-25(34)17-6-8-28-21(14-17)26(2,3)27)15-19(16)23-31-20-7-9-29-22(20)24(32-23)33-10-12-35-13-11-33;1-15-3-4-17(30-24(34)16-5-7-28-20(13-16)25(2,26)27)14-18(15)22-31-19-6-8-29-21(19)23(32-22)33-9-11-35-12-10-33;1-14-2-3-16(30-23(34)15-4-6-28-19(12-15)24(25,26)27)13-17(14)21-31-18-5-7-29-20(18)22(32-21)33-8-10-35-11-9-33/h7-14H,32H2,1-6H3,(H,34,36);6-9,14-17,35H,10-13H2,1-5H3,(H,32,34);11-16,35H,2,5-10,17H2,1,3-4H3,(H,32,36);4-9,14-15,29H,10-13H2,1-3H3,(H,30,34);3-8,13-14,29H,9-12H2,1-2H3,(H,30,34);2-7,12-13,29H,8-11H2,1H3,(H,30,34)/b;;18-11+;;;
InChIKeyLRSGOLMUSKZMLC-ZUFCKBSISA-N
XLogP28.05
TPSA551.15 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds34
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002973.24
LogP ≤ 528.05
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 159437123) is 3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is C=C(/C=C(\C)c1cnc(OCCO)c(N2CCOCC2)c1)NC(=O)c1cc(CN(C)C)cc(C(F)(F)F)c1.Cc1ccc(NC(=O)c2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc2c(c1)C(C)(C)C(=O)N2C.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(C(C)(C)O)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.
What is the InChIKey of 3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is LRSGOLMUSKZMLC-ZUFCKBSISA-N. The full InChI is InChI=1S/C28H29F3N4O2.C28H33FN4O3.C27H33F3N4O4.C26H27FN6O2.C25H24F2N6O2.C24H21F3N6O2/c1-15-7-8-20(13-21(15)17-11-22-23(33-14-17)35(6)25(37)26(22,2)3)34-24(36)16-9-18(27(4,5)32)12-19(10-16)28(29,30)31;1-18-6-7-21(32-26(34)19-8-9-30-24(15-19)27(2,3)29)16-22(18)20-14-23(33-10-12-36-13-11-33)25(31-17-20)28(4,5)35;1-18(22-15-24(34-5-8-37-9-6-34)26(31-16-22)38-10-7-35)11-19(2)32-25(36)21-12-20(17-33(3)4)13-23(14-21)27(28,29)30;1-16-4-5-18(30-25(34)17-6-8-28-21(14-17)26(2,3)27)15-19(16)23-31-20-7-9-29-22(20)24(32-23)33-10-12-35-13-11-33;1-15-3-4-17(30-24(34)16-5-7-28-20(13-16)25(2,26)27)14-18(15)22-31-19-6-8-29-21(19)23(32-22)33-9-11-35-12-10-33;1-14-2-3-16(30-23(34)15-4-6-28-19(12-15)24(25,26)27)13-17(14)21-31-18-5-7-29-20(18)22(32-21)33-8-10-35-11-9-33/h7-14H,32H2,1-6H3,(H,34,36);6-9,14-17,35H,10-13H2,1-5H3,(H,32,34);11-16,35H,2,5-10,17H2,1,3-4H3,(H,32,36);4-9,14-15,29H,10-13H2,1-3H3,(H,30,34);3-8,13-14,29H,9-12H2,1-2H3,(H,30,34);2-7,12-13,29H,8-11H2,1H3,(H,30,34)/b;;18-11+;;;.
What are the key properties of 3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 2973.24 g/mol, XLogP of 28.05, 34 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-N-[4-methyl-3-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-5-yl)phenyl]-5-(trifluoromethyl)benzamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 159437123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).