6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C107H107F2N21O17 — CID 158909435

IUPAC6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCOCC4=O)cc2)CC3)cc1F.CCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-n4ccccc4=O)c(C)c2)CC3)cc1.CCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-n4ccccc4=O)c(C)c2)CC3)cc1F.COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N(C(=O)CN(C)C)C(C)C)cc2)CC3)cc1
InChIInChI=1S/C27H24FN5O4.C27H32N6O4.C27H25N5O4.C26H26FN5O5/c1-3-37-22-10-8-18(15-20(22)28)33-25-19(24(30-33)26(29)35)11-13-31(27(25)36)17-7-9-21(16(2)14-17)32-12-5-4-6-23(32)34;1-17(2)32(23(34)16-30(3)4)19-8-6-18(7-9-19)31-15-14-22-24(26(28)35)29-33(25(22)27(31)36)20-10-12-21(37-5)13-11-20;1-3-36-20-10-7-18(8-11-20)32-25-21(24(29-32)26(28)34)13-15-30(27(25)35)19-9-12-22(17(2)16-19)31-14-5-4-6-23(31)33;1-15(2)37-21-8-7-18(13-20(21)27)32-24-19(23(29-32)25(28)34)9-10-31(26(24)35)17-5-3-16(4-6-17)30-11-12-36-14-22(30)33/h4-10,12,14-15H,3,11,13H2,1-2H3,(H2,29,35);6-13,17H,14-16H2,1-5H3,(H2,28,35);4-12,14,16H,3,13,15H2,1-2H3,(H2,28,34);3-8,13,15H,9-12,14H2,1-2H3,(H2,28,34)
InChIKeyJGLLXOAKFNIDRD-UHFFFAOYSA-N
MW1997.16 g/mol
LogP11.15
Rot. Bonds26

About 6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 158909435) has the molecular formula C107H107F2N21O17 and a molecular weight of 1997.16 g/mol. Its IUPAC name is 6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID158909435
Molecular FormulaC107H107F2N21O17
Molecular Weight1997.16 g/mol
Exact Mass1995.81
IUPAC Name6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCOCC4=O)cc2)CC3)cc1F.CCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-n4ccccc4=O)c(C)c2)CC3)cc1.CCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-n4ccccc4=O)c(C)c2)CC3)cc1F.COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N(C(=O)CN(C)C)C(C)C)cc2)CC3)cc1
InChIInChI=1S/C27H24FN5O4.C27H32N6O4.C27H25N5O4.C26H26FN5O5/c1-3-37-22-10-8-18(15-20(22)28)33-25-19(24(30-33)26(29)35)11-13-31(27(25)36)17-7-9-21(16(2)14-17)32-12-5-4-6-23(32)34;1-17(2)32(23(34)16-30(3)4)19-8-6-18(7-9-19)31-15-14-22-24(26(28)35)29-33(25(22)27(31)36)20-10-12-21(37-5)13-11-20;1-3-36-20-10-7-18(8-11-20)32-25-21(24(29-32)26(28)34)13-15-30(27(25)35)19-9-12-22(17(2)16-19)31-14-5-4-6-23(31)33;1-15(2)37-21-8-7-18(13-20(21)27)32-24-19(23(29-32)25(28)34)9-10-31(26(24)35)17-5-3-16(4-6-17)30-11-12-36-14-22(30)33/h4-10,12,14-15H,3,11,13H2,1-2H3,(H2,29,35);6-13,17H,14-16H2,1-5H3,(H2,28,35);4-12,14,16H,3,13,15H2,1-2H3,(H2,28,34);3-8,13,15H,9-12,14H2,1-2H3,(H2,28,34)
InChIKeyJGLLXOAKFNIDRD-UHFFFAOYSA-N
XLogP11.15
TPSA458.89 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001997.16
LogP ≤ 511.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 158909435) is 6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CC(C)Oc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCOCC4=O)cc2)CC3)cc1F.CCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-n4ccccc4=O)c(C)c2)CC3)cc1.CCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-n4ccccc4=O)c(C)c2)CC3)cc1F.COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N(C(=O)CN(C)C)C(C)C)cc2)CC3)cc1.
What is the InChIKey of 6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is JGLLXOAKFNIDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O4.C27H32N6O4.C27H25N5O4.C26H26FN5O5/c1-3-37-22-10-8-18(15-20(22)28)33-25-19(24(30-33)26(29)35)11-13-31(27(25)36)17-7-9-21(16(2)14-17)32-12-5-4-6-23(32)34;1-17(2)32(23(34)16-30(3)4)19-8-6-18(7-9-19)31-15-14-22-24(26(28)35)29-33(25(22)27(31)36)20-10-12-21(37-5)13-11-20;1-3-36-20-10-7-18(8-11-20)32-25-21(24(29-32)26(28)34)13-15-30(27(25)35)19-9-12-22(17(2)16-19)31-14-5-4-6-23(31)33;1-15(2)37-21-8-7-18(13-20(21)27)32-24-19(23(29-32)25(28)34)9-10-31(26(24)35)17-5-3-16(4-6-17)30-11-12-36-14-22(30)33/h4-10,12,14-15H,3,11,13H2,1-2H3,(H2,29,35);6-13,17H,14-16H2,1-5H3,(H2,28,35);4-12,14,16H,3,13,15H2,1-2H3,(H2,28,34);3-8,13,15H,9-12,14H2,1-2H3,(H2,28,34).
What are the key properties of 6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 1997.16 g/mol, XLogP of 11.15, 26 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-(dimethylamino)acetyl]-propan-2-ylamino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxy-3-fluorophenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-ethoxyphenyl)-6-[3-methyl-4-(2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(3-fluoro-4-propan-2-yloxyphenyl)-7-oxo-6-[4-(3-oxomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 158909435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).