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

C146H166BN23O25 — CID 158089370

About 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

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 (PubChem CID 158089370) has the molecular formula C146H166BN23O25 and a molecular weight of 2653.88 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158089370
• Molecular Formula: C146H166BN23O25
• Molecular Weight: 2653.88 g/mol
• Exact Mass: 2652.25
• IUPAC Name: 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
• SMILES: CCOC(=O)c1cnn(C2CCOCC2C)c1-c1ccc(-c2c(C)cc(OC)nc2C)cc1[N+](=O)[O-].CCOC(=O)c1cnn(C2CCOCC2C)c1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-].COc1cc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn(C4CCOCC4C)c23)c(C)n1.COc1cc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@@H]4CCOC[C@@H]4C)c23)c(C)n1.COc1cc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@H]4CCOC[C@@H]4C)c23)c(C)n1.COc1cc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@H]4CCOC[C@H]4C)c23)c(C)n1
• InChI: InChI=1S/C26H30N4O6.C24H32BN3O7.4C24H26N4O3/c1-6-36-26(31)20-13-27-29(21-9-10-35-14-16(21)3)25(20)19-8-7-18(12-22(19)30(32)33)24-15(2)11-23(34-5)28-17(24)4;1-7-33-22(29)18-13-26-27(19-10-11-32-14-15(19)2)21(18)17-9-8-16(12-20(17)28(30)31)25-34-23(3,4)24(5,6)35-25;4*1-13-9-21(30-4)26-15(3)22(13)16-5-6-17-19(10-16)27-24(29)18-11-25-28(23(17)18)20-7-8-31-12-14(20)2/h7-8,11-13,16,21H,6,9-10,14H2,1-5H3;8-9,12-13,15,19H,7,10-11,14H2,1-6H3;4*5-6,9-11,14,20H,7-8,12H2,1-4H3,(H,27,29)/t;;2*14-,20+;14-,20-;/m..100./s1
• InChIKey: FNXHBAYJTUJCPR-RXXZYHMFSA-N
• XLogP: 25.10
• TPSA: 561.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 25
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2653.88
LogP ≤ 5	25.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCOC(=O)c1cnn(C2CCOCC2C)c1-c1ccc(-c2c(C)cc(OC)nc2C)cc1[N+](=O)[O-].CCOC(=O)c1cnn(C2CCOCC2C)c1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-].COc1cc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn(C4CCOCC4C)c23)c(C)n1.COc1cc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@@H]4CCOC[C@@H]4C)c23)c(C)n1.COc1cc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@H]4CCOC[C@@H]4C)c23)c(C)n1.COc1cc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@H]4CCOC[C@H]4C)c23)c(C)n1.

What is the InChIKey of 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?

The InChIKey is FNXHBAYJTUJCPR-RXXZYHMFSA-N. The full InChI is InChI=1S/C26H30N4O6.C24H32BN3O7.4C24H26N4O3/c1-6-36-26(31)20-13-27-29(21-9-10-35-14-16(21)3)25(20)19-8-7-18(12-22(19)30(32)33)24-15(2)11-23(34-5)28-17(24)4;1-7-33-22(29)18-13-26-27(19-10-11-32-14-15(19)2)21(18)17-9-8-16(12-20(17)28(30)31)25-34-23(3,4)24(5,6)35-25;4*1-13-9-21(30-4)26-15(3)22(13)16-5-6-17-19(10-16)27-24(29)18-11-25-28(23(17)18)20-7-8-31-12-14(20)2/h7-8,11-13,16,21H,6,9-10,14H2,1-5H3;8-9,12-13,15,19H,7,10-11,14H2,1-6H3;4*5-6,9-11,14,20H,7-8,12H2,1-4H3,(H,27,29)/t;;2*14-,20+;14-,20-;/m..100./s1.

What are the key properties of 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?

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 has a molecular weight of 2653.88 g/mol, XLogP of 25.10, 25 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158089370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).