7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate

C88H100BBrN14O21 — CID 159759848

IUPAC7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C2CCOC2)c1-c1ccc(-c2c(C)cnc(OC(C)C)c2C)cc1[N+](=O)[O-].CCOC(=O)c1cnn(C2CCOC2)c1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-].CCOC(=O)c1cnn(C2CCOC2)c1-c1ccc(Br)cc1[N+](=O)[O-].Cc1cnc(OC(C)C)c(C)c1-c1ccc2c(c1)[nH]c(=O)c1cnn(C3CCOC3)c12
InChIInChI=1S/C26H30N4O6.C24H26N4O3.C22H28BN3O7.C16H16BrN3O5/c1-6-35-26(31)21-13-28-29(19-9-10-34-14-19)24(21)20-8-7-18(11-22(20)30(32)33)23-16(4)12-27-25(17(23)5)36-15(2)3;1-13(2)31-24-15(4)21(14(3)10-25-24)16-5-6-18-20(9-16)27-23(29)19-11-26-28(22(18)19)17-7-8-30-12-17;1-6-31-20(27)17-12-24-25(15-9-10-30-13-15)19(17)16-8-7-14(11-18(16)26(28)29)23-32-21(2,3)22(4,5)33-23;1-2-25-16(21)13-8-18-19(11-5-6-24-9-11)15(13)12-4-3-10(17)7-14(12)20(22)23/h7-8,11-13,15,19H,6,9-10,14H2,1-5H3;5-6,9-11,13,17H,7-8,12H2,1-4H3,(H,27,29);7-8,11-12,15H,6,9-10,13H2,1-5H3;3-4,7-8,11H,2,5-6,9H2,1H3
InChIKeyNESTUQZCYNLDOY-UHFFFAOYSA-N
MW1780.56 g/mol
LogP15.62
Rot. Bonds23

About 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate

7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate (PubChem CID 159759848) has the molecular formula C88H100BBrN14O21 and a molecular weight of 1780.56 g/mol. Its IUPAC name is 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Name7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate
PubChem CID159759848
Molecular FormulaC88H100BBrN14O21
Molecular Weight1780.56 g/mol
Exact Mass1778.65
IUPAC Name7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C2CCOC2)c1-c1ccc(-c2c(C)cnc(OC(C)C)c2C)cc1[N+](=O)[O-].CCOC(=O)c1cnn(C2CCOC2)c1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-].CCOC(=O)c1cnn(C2CCOC2)c1-c1ccc(Br)cc1[N+](=O)[O-].Cc1cnc(OC(C)C)c(C)c1-c1ccc2c(c1)[nH]c(=O)c1cnn(C3CCOC3)c12
InChIInChI=1S/C26H30N4O6.C24H26N4O3.C22H28BN3O7.C16H16BrN3O5/c1-6-35-26(31)21-13-28-29(19-9-10-34-14-19)24(21)20-8-7-18(11-22(20)30(32)33)23-16(4)12-27-25(17(23)5)36-15(2)3;1-13(2)31-24-15(4)21(14(3)10-25-24)16-5-6-18-20(9-16)27-23(29)19-11-26-28(22(18)19)17-7-8-30-12-17;1-6-31-20(27)17-12-24-25(15-9-10-30-13-15)19(17)16-8-7-14(11-18(16)26(28)29)23-32-21(2,3)22(4,5)33-23;1-2-25-16(21)13-8-18-19(11-5-6-24-9-11)15(13)12-4-3-10(17)7-14(12)20(22)23/h7-8,11-13,15,19H,6,9-10,14H2,1-5H3;5-6,9-11,13,17H,7-8,12H2,1-4H3,(H,27,29);7-8,11-12,15H,6,9-10,13H2,1-5H3;3-4,7-8,11H,2,5-6,9H2,1H3
InChIKeyNESTUQZCYNLDOY-UHFFFAOYSA-N
XLogP15.62
TPSA412.08 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001780.56
LogP ≤ 515.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 5-[2-fluoro-4-(2-methoxy-4,6-dimethyl-3-pyridinyl)phenyl]-1-(oxan-4-yl)pyrazole-4-carboxylate;ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-4-yl)pyrazole-4-carboxylate;5-[2-fluoro-4-(2-methoxy-4,6-dimethyl-3-pyridinyl)phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide;7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 157076015
7-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S)-oxolan-3-yl]-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol;ethyl 5-[4-(6-ethoxy-2,4-dimethyl-3-pyridinyl)-2-nitrophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate
CID 157119566
7-bromo-1-(oxolan-3-yl)-4,5-dihydropyrazolo[4,5-c]quinolin-4-ol;ethyl 5-(2-amino-4-bromophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 157138918
ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxepan-4-yl)pyrazole-4-carboxylate;ethyl 5-[4-(2-methoxy-3,5-dimethyl-4-pyridinyl)-2-nitrophenyl]-1-(oxepan-4-yl)pyrazole-4-carboxylate;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(4S)-oxepan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(4R)-oxepan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 157308633
5-[2,5-difluoro-4-(2-methoxy-4,6-dimethyl-3-pyridinyl)phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide;5-[2,5-difluoro-4-(2-methoxy-4,6-dimethyl-3-pyridinyl)phenyl]-1-(oxan-4-yl)pyrazole-4-carboxylic acid;ethyl 5-(4-bromo-2,5-difluorophenyl)-1-(oxan-4-yl)pyrazole-4-carboxylate;ethyl 5-[2,5-difluoro-4-(2-methoxy-4,6-dimethyl-3-pyridinyl)phenyl]-1-(oxan-4-yl)pyrazole-4-carboxylate;8-fluoro-7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 157974183
7-(2,4-dimethyl-6-propan-2-yloxy-3-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-[4-(2,4-dimethyl-6-propan-2-yloxy-3-pyridinyl)-2-nitrophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate
CID 158080073
7-(2,4-dimethyl-6-propan-2-yloxy-3-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-[4-(2,4-dimethyl-6-propan-2-yloxy-3-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate
CID 158080074
ethyl 5-[4-(6-methoxy-2,4-dimethyl-3-pyridinyl)-2-nitrophenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxylate;ethyl 1-(3-methyloxan-4-yl)-5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole-4-carboxylate;7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 158089370
7-bromo-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(2-amino-4-bromophenyl)-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-(4-bromo-2-nitrophenyl)-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 158350478
1-(1,4-dioxepan-6-yl)-7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(1,4-dioxepan-6-yl)pyrazole-4-carboxylate;ethyl 1-(1,4-dioxepan-6-yl)-5-[4-(2-methoxy-3,5-dimethyl-4-pyridinyl)-2-nitrophenyl]pyrazole-4-carboxylate
CID 158912989
7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-5-methyl-2-nitrophenyl)-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxylate
CID 159138614
1-(1,4-dioxepan-6-yl)-7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 1-(1,4-dioxepan-6-yl)-5-[4-(2-methoxy-4,6-dimethyl-3-pyridinyl)-2-nitrophenyl]pyrazole-4-carboxylate;ethyl 1-(1,4-dioxepan-6-yl)-5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole-4-carboxylate
CID 160199807

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate?
The IUPAC name of 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate (CID 159759848) is 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate.
What is the SMILES notation for 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate?
The canonical SMILES for 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(C2CCOC2)c1-c1ccc(-c2c(C)cnc(OC(C)C)c2C)cc1[N+](=O)[O-].CCOC(=O)c1cnn(C2CCOC2)c1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-].CCOC(=O)c1cnn(C2CCOC2)c1-c1ccc(Br)cc1[N+](=O)[O-].Cc1cnc(OC(C)C)c(C)c1-c1ccc2c(c1)[nH]c(=O)c1cnn(C3CCOC3)c12.
What is the InChIKey of 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate?
The InChIKey is NESTUQZCYNLDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O6.C24H26N4O3.C22H28BN3O7.C16H16BrN3O5/c1-6-35-26(31)21-13-28-29(19-9-10-34-14-19)24(21)20-8-7-18(11-22(20)30(32)33)23-16(4)12-27-25(17(23)5)36-15(2)3;1-13(2)31-24-15(4)21(14(3)10-25-24)16-5-6-18-20(9-16)27-23(29)19-11-26-28(22(18)19)17-7-8-30-12-17;1-6-31-20(27)17-12-24-25(15-9-10-30-13-15)19(17)16-8-7-14(11-18(16)26(28)29)23-32-21(2,3)22(4,5)33-23;1-2-25-16(21)13-8-18-19(11-5-6-24-9-11)15(13)12-4-3-10(17)7-14(12)20(22)23/h7-8,11-13,15,19H,6,9-10,14H2,1-5H3;5-6,9-11,13,17H,7-8,12H2,1-4H3,(H,27,29);7-8,11-12,15H,6,9-10,13H2,1-5H3;3-4,7-8,11H,2,5-6,9H2,1H3.
What are the key properties of 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate?
7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate has a molecular weight of 1780.56 g/mol, XLogP of 15.62, 23 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;ethyl 5-(4-bromo-2-nitrophenyl)-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[4-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-2-nitrophenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate;ethyl 5-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 159759848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).