3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide

C175H153Cl2F10N55O22 — CID 162061359

About 3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide

3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide (PubChem CID 162061359) has the molecular formula C175H153Cl2F10N55O22 and a molecular weight of 3639.40 g/mol. Its IUPAC name is 3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide
• PubChem CID: 162061359
• Molecular Formula: C175H153Cl2F10N55O22
• Molecular Weight: 3639.40 g/mol
• Exact Mass: 3636.18
• IUPAC Name: 3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide
• SMILES: C=C(O)c1cccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)c1.C=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5cccc(OC)c5)n[nH]c34)cc2N1.CC(=O)Nc1n[nH]c2c(C(=O)NCc3ccc4c(c3)NC(=O)CO4)ncnc12.CC(=O)c1ccc(C(=O)Nc2c3ncnc(C(=O)NCc4ccc(F)c(C)c4)c3nn2C)cc1.CC(=O)c1ccc(C(=O)Nc2c3ncnc(C(=O)NCc4ccnc(C(F)(F)F)c4)c3nn2C)cc1.Cc1cc(CNC(=O)c2ncnc3c(NC(=O)c4ccc(-c5ncn[nH]5)cc4)nn(C)c23)ccc1F.Cn1nc(NC(=O)C2=CCC=C2)c2ncnc(C(=O)NCc3ccnc(C(F)(F)F)c3)c21.Cn1nc(NC(=O)CC(C)(C)C)c2ncnc(C(=O)NCc3ccc(F)c(Cl)c3)c21
• InChI: InChI=1S/C25H23N7O4.C24H20FN9O2.C24H21FN6O3.C23H18F3N7O3.C22H18ClFN6O2.C20H22ClFN6O2.C20H16F3N7O2.C17H15N7O4/c1-14-12-36-19-7-6-16(9-18(19)29-14)11-26-25(34)23-21-22(27-13-28-23)24(32-31-21)30-20(33)10-15-4-3-5-17(8-15)35-2;1-13-9-14(3-8-17(13)25)10-26-24(36)19-20-18(27-11-28-19)22(33-34(20)2)31-23(35)16-6-4-15(5-7-16)21-29-12-30-32-21;1-13-10-15(4-9-18(13)25)11-26-24(34)21-19-20(27-12-28-21)22(31(3)30-19)29-23(33)17-7-5-16(6-8-17)14(2)32;1-12(34)14-3-5-15(6-4-14)21(35)31-20-18-17(32-33(20)2)19(30-11-29-18)22(36)28-10-13-7-8-27-16(9-13)23(24,25)26;1-12(31)15-4-2-3-13(7-15)9-25-21-19-18(29-30-21)20(28-11-27-19)22(32)26-10-14-5-6-17(24)16(23)8-14;1-20(2,3)8-14(29)26-18-15-17(28(4)27-18)16(25-10-24-15)19(30)23-9-11-5-6-13(22)12(21)7-11;1-30-16-14(17(29-30)28-18(31)12-4-2-3-5-12)26-10-27-15(16)19(32)25-9-11-6-7-24-13(8-11)20(21,22)23;1-8(25)21-16-14-13(23-24-16)15(20-7-19-14)17(27)18-5-9-2-3-11-10(4-9)22-12(26)6-28-11/h3-9,13,29H,1,10-12H2,2H3,(H,26,34)(H2,30,31,32,33);3-9,11-12H,10H2,1-2H3,(H,26,36)(H,29,30,32)(H,31,33,35);4-10,12H,11H2,1-3H3,(H,26,34)(H,29,33);3-9,11H,10H2,1-2H3,(H,28,36)(H,31,35);2-8,11,31H,1,9-10H2,(H,26,32)(H2,25,29,30);5-7,10H,8-9H2,1-4H3,(H,23,30)(H,26,27,29);2,4-8,10H,3,9H2,1H3,(H,25,32)(H,28,29,31);2-4,7H,5-6H2,1H3,(H,18,27)(H,22,26)(H2,21,23,24,25)
• InChIKey: YZWQQJCOOOPCOS-UHFFFAOYSA-N
• XLogP: 22.71
• TPSA: 1020.45 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 57
• Rotatable Bonds: 46
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3639.40
LogP ≤ 5	22.71
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide?

The IUPAC name of 3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide (CID 162061359) is 3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide.

What is the SMILES notation for 3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide?

The canonical SMILES for 3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide is C=C(O)c1cccc(CNc2n[nH]c3c(C(=O)NCc4ccc(F)c(Cl)c4)ncnc23)c1.C=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)Cc5cccc(OC)c5)n[nH]c34)cc2N1.CC(=O)Nc1n[nH]c2c(C(=O)NCc3ccc4c(c3)NC(=O)CO4)ncnc12.CC(=O)c1ccc(C(=O)Nc2c3ncnc(C(=O)NCc4ccc(F)c(C)c4)c3nn2C)cc1.CC(=O)c1ccc(C(=O)Nc2c3ncnc(C(=O)NCc4ccnc(C(F)(F)F)c4)c3nn2C)cc1.Cc1cc(CNC(=O)c2ncnc3c(NC(=O)c4ccc(-c5ncn[nH]5)cc4)nn(C)c23)ccc1F.Cn1nc(NC(=O)C2=CCC=C2)c2ncnc(C(=O)NCc3ccnc(C(F)(F)F)c3)c21.Cn1nc(NC(=O)CC(C)(C)C)c2ncnc(C(=O)NCc3ccc(F)c(Cl)c3)c21.

What is the InChIKey of 3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide?

The InChIKey is YZWQQJCOOOPCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O4.C24H20FN9O2.C24H21FN6O3.C23H18F3N7O3.C22H18ClFN6O2.C20H22ClFN6O2.C20H16F3N7O2.C17H15N7O4/c1-14-12-36-19-7-6-16(9-18(19)29-14)11-26-25(34)23-21-22(27-13-28-23)24(32-31-21)30-20(33)10-15-4-3-5-17(8-15)35-2;1-13-9-14(3-8-17(13)25)10-26-24(36)19-20-18(27-11-28-19)22(33-34(20)2)31-23(35)16-6-4-15(5-7-16)21-29-12-30-32-21;1-13-10-15(4-9-18(13)25)11-26-24(34)21-19-20(27-12-28-21)22(31(3)30-19)29-23(33)17-7-5-16(6-8-17)14(2)32;1-12(34)14-3-5-15(6-4-14)21(35)31-20-18-17(32-33(20)2)19(30-11-29-18)22(36)28-10-13-7-8-27-16(9-13)23(24,25)26;1-12(31)15-4-2-3-13(7-15)9-25-21-19-18(29-30-21)20(28-11-27-19)22(32)26-10-14-5-6-17(24)16(23)8-14;1-20(2,3)8-14(29)26-18-15-17(28(4)27-18)16(25-10-24-15)19(30)23-9-11-5-6-13(22)12(21)7-11;1-30-16-14(17(29-30)28-18(31)12-4-2-3-5-12)26-10-27-15(16)19(32)25-9-11-6-7-24-13(8-11)20(21,22)23;1-8(25)21-16-14-13(23-24-16)15(20-7-19-14)17(27)18-5-9-2-3-11-10(4-9)22-12(26)6-28-11/h3-9,13,29H,1,10-12H2,2H3,(H,26,34)(H2,30,31,32,33);3-9,11-12H,10H2,1-2H3,(H,26,36)(H,29,30,32)(H,31,33,35);4-10,12H,11H2,1-3H3,(H,26,34)(H,29,33);3-9,11H,10H2,1-2H3,(H,28,36)(H,31,35);2-8,11,31H,1,9-10H2,(H,26,32)(H2,25,29,30);5-7,10H,8-9H2,1-4H3,(H,23,30)(H,26,27,29);2,4-8,10H,3,9H2,1H3,(H,25,32)(H,28,29,31);2-4,7H,5-6H2,1H3,(H,18,27)(H,22,26)(H2,21,23,24,25).

What are the key properties of 3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide?

3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide has a molecular weight of 3639.40 g/mol, XLogP of 22.71, 46 rotatable bonds, 23 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetamido-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpyrazolo[4,3-d]pyrimidine-7-carboxamide;3-[(4-acetylbenzoyl)amino]-2-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-(3,3-dimethylbutanoylamino)-1-methylpyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-3-[[3-(1-hydroxyethenyl)phenyl]methylamino]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide;3-(cyclopenta-1,4-diene-1-carbonylamino)-1-methyl-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-7-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-3-[[4-(1H-1,2,4-triazol-5-yl)benzoyl]amino]pyrazolo[4,5-d]pyrimidine-7-carboxamide;3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(3-methylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 162061359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).