5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one

C130H137FN36O11 — CID 157371203

IUPAC5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCC(C)Nc1ncc(-c2ccc(Cc3c[nH]c4ncccc34)cn2)c(=O)[nH]1.COCCOc1cnc2[nH]cc(Cc3ccc(-c4cnc(NC(C)C)[nH]c4=O)nc3C)c2c1.Cc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1C(=O)c1c[nH]c2ncccc12.Cc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1Cc1c[nH]c2ncc(F)cc12.Cc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1Cc1c[nH]c2ncc(OCCO)cc12.Cc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1Cc1c[nH]c2ncccc12
InChIInChI=1S/C24H28N6O3.C23H26N6O3.C21H21FN6O.C21H20N6O2.C21H22N6O.C20H20N6O/c1-14(2)28-24-27-13-20(23(31)30-24)21-6-5-16(15(3)29-21)9-17-11-25-22-19(17)10-18(12-26-22)33-8-7-32-4;1-13(2)27-23-26-12-19(22(31)29-23)20-5-4-15(14(3)28-20)8-16-10-24-21-18(16)9-17(11-25-21)32-7-6-30;1-11(2)26-21-25-10-17(20(29)28-21)18-5-4-13(12(3)27-18)6-14-8-23-19-16(14)7-15(22)9-24-19;1-11(2)25-21-24-10-16(20(29)27-21)17-7-6-13(12(3)26-17)18(28)15-9-23-19-14(15)5-4-8-22-19;1-12(2)25-21-24-11-17(20(28)27-21)18-7-6-14(13(3)26-18)9-15-10-23-19-16(15)5-4-8-22-19;1-12(2)25-20-24-11-16(19(27)26-20)17-6-5-13(9-22-17)8-14-10-23-18-15(14)4-3-7-21-18/h5-6,10-14H,7-9H2,1-4H3,(H,25,26)(H2,27,28,30,31);4-5,9-13,30H,6-8H2,1-3H3,(H,24,25)(H2,26,27,29,31);4-5,7-11H,6H2,1-3H3,(H,23,24)(H2,25,26,28,29);4-11H,1-3H3,(H,22,23)(H2,24,25,27,29);4-8,10-12H,9H2,1-3H3,(H,22,23)(H2,24,25,27,28);3-7,9-12H,8H2,1-2H3,(H,21,23)(H2,24,25,26,27)
InChIKeyBJUBPMIRPFNBFM-UHFFFAOYSA-N
MW2398.76 g/mol
LogP19.43
Rot. Bonds37

About 5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one

5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 157371203) has the molecular formula C130H137FN36O11 and a molecular weight of 2398.76 g/mol. Its IUPAC name is 5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one
PubChem CID157371203
Molecular FormulaC130H137FN36O11
Molecular Weight2398.76 g/mol
Exact Mass2397.13
IUPAC Name5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCC(C)Nc1ncc(-c2ccc(Cc3c[nH]c4ncccc34)cn2)c(=O)[nH]1.COCCOc1cnc2[nH]cc(Cc3ccc(-c4cnc(NC(C)C)[nH]c4=O)nc3C)c2c1.Cc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1C(=O)c1c[nH]c2ncccc12.Cc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1Cc1c[nH]c2ncc(F)cc12.Cc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1Cc1c[nH]c2ncc(OCCO)cc12.Cc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1Cc1c[nH]c2ncccc12
InChIInChI=1S/C24H28N6O3.C23H26N6O3.C21H21FN6O.C21H20N6O2.C21H22N6O.C20H20N6O/c1-14(2)28-24-27-13-20(23(31)30-24)21-6-5-16(15(3)29-21)9-17-11-25-22-19(17)10-18(12-26-22)33-8-7-32-4;1-13(2)27-23-26-12-19(22(31)29-23)20-5-4-15(14(3)28-20)8-16-10-24-21-18(16)9-17(11-25-21)32-7-6-30;1-11(2)26-21-25-10-17(20(29)28-21)18-5-4-13(12(3)27-18)6-14-8-23-19-16(14)7-15(22)9-24-19;1-11(2)25-21-24-10-16(20(29)27-21)17-7-6-13(12(3)26-17)18(28)15-9-23-19-14(15)5-4-8-22-19;1-12(2)25-21-24-11-17(20(28)27-21)18-7-6-14(13(3)26-18)9-15-10-23-19-16(15)5-4-8-22-19;1-12(2)25-20-24-11-16(19(27)26-20)17-6-5-13(9-22-17)8-14-10-23-18-15(14)4-3-7-21-18/h5-6,10-14H,7-9H2,1-4H3,(H,25,26)(H2,27,28,30,31);4-5,9-13,30H,6-8H2,1-3H3,(H,24,25)(H2,26,27,29,31);4-5,7-11H,6H2,1-3H3,(H,23,24)(H2,25,26,28,29);4-11H,1-3H3,(H,22,23)(H2,24,25,27,29);4-8,10-12H,9H2,1-3H3,(H,22,23)(H2,24,25,27,28);3-7,9-12H,8H2,1-2H3,(H,21,23)(H2,24,25,26,27)
InChIKeyBJUBPMIRPFNBFM-UHFFFAOYSA-N
XLogP19.43
TPSA661.09 Ų
H-Bond Donors19
H-Bond Acceptors35
Rotatable Bonds37
Heavy Atoms178
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002398.76
LogP ≤ 519.43
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one (CID 157371203) is 5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one is CC(C)Nc1ncc(-c2ccc(Cc3c[nH]c4ncccc34)cn2)c(=O)[nH]1.COCCOc1cnc2[nH]cc(Cc3ccc(-c4cnc(NC(C)C)[nH]c4=O)nc3C)c2c1.Cc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1C(=O)c1c[nH]c2ncccc12.Cc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1Cc1c[nH]c2ncc(F)cc12.Cc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1Cc1c[nH]c2ncc(OCCO)cc12.Cc1nc(-c2cnc(NC(C)C)[nH]c2=O)ccc1Cc1c[nH]c2ncccc12.
What is the InChIKey of 5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is BJUBPMIRPFNBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3.C23H26N6O3.C21H21FN6O.C21H20N6O2.C21H22N6O.C20H20N6O/c1-14(2)28-24-27-13-20(23(31)30-24)21-6-5-16(15(3)29-21)9-17-11-25-22-19(17)10-18(12-26-22)33-8-7-32-4;1-13(2)27-23-26-12-19(22(31)29-23)20-5-4-15(14(3)28-20)8-16-10-24-21-18(16)9-17(11-25-21)32-7-6-30;1-11(2)26-21-25-10-17(20(29)28-21)18-5-4-13(12(3)27-18)6-14-8-23-19-16(14)7-15(22)9-24-19;1-11(2)25-21-24-10-16(20(29)27-21)17-7-6-13(12(3)26-17)18(28)15-9-23-19-14(15)5-4-8-22-19;1-12(2)25-21-24-11-17(20(28)27-21)18-7-6-14(13(3)26-18)9-15-10-23-19-16(15)5-4-8-22-19;1-12(2)25-20-24-11-16(19(27)26-20)17-6-5-13(9-22-17)8-14-10-23-18-15(14)4-3-7-21-18/h5-6,10-14H,7-9H2,1-4H3,(H,25,26)(H2,27,28,30,31);4-5,9-13,30H,6-8H2,1-3H3,(H,24,25)(H2,26,27,29,31);4-5,7-11H,6H2,1-3H3,(H,23,24)(H2,25,26,28,29);4-11H,1-3H3,(H,22,23)(H2,24,25,27,29);4-8,10-12H,9H2,1-3H3,(H,22,23)(H2,24,25,27,28);3-7,9-12H,8H2,1-2H3,(H,21,23)(H2,24,25,26,27).
What are the key properties of 5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one?
5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 2398.76 g/mol, XLogP of 19.43, 37 rotatable bonds, 19 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-hydroxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[5-[[5-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-6-methyl-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-2-(propan-2-ylamino)-1H-pyrimidin-6-one;2-(propan-2-ylamino)-5-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 157371203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).