1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one

C87H71F7N24O11 — CID 158912321

IUPAC1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1.COc1cc2ncc3c(c2cc1-c1cn[nH]c1C)n(-c1ncc(F)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OC(F)F)cc1F)c(=O)n3C.COc1cnc(-n2c(=O)[nH]c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1
InChIInChI=1S/C23H21FN6O3.C22H17F3N6O3.C21H16F2N6O2.C21H17FN6O3/c1-5-33-14-6-17(24)22(26-10-14)30-21-16-7-15(13-9-27-28(2)12-13)20(32-4)8-18(16)25-11-19(21)29(3)23(30)31;1-29-10-11(7-28-29)13-5-14-16(6-18(13)33-3)26-9-17-19(14)31(22(32)30(17)2)20-15(23)4-12(8-27-20)34-21(24)25;1-10-14(8-26-27-10)12-5-13-16(6-18(12)31-3)24-9-17-19(13)29(21(30)28(17)2)20-15(23)4-11(22)7-25-20;1-27-10-11(7-25-27)13-5-14-16(6-18(13)31-3)23-9-17-19(14)28(21(29)26-17)20-15(22)4-12(30-2)8-24-20/h6-12H,5H2,1-4H3;4-10,21H,1-3H3;4-9H,1-3H3,(H,26,27);4-10H,1-3H3,(H,26,29)
InChIKeyJGUNWMWLPDFEJO-UHFFFAOYSA-N
MW1761.67 g/mol
LogP12.72
Rot. Bonds17

About 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one

1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 158912321) has the molecular formula C87H71F7N24O11 and a molecular weight of 1761.67 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID158912321
Molecular FormulaC87H71F7N24O11
Molecular Weight1761.67 g/mol
Exact Mass1760.56
IUPAC Name1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1.COc1cc2ncc3c(c2cc1-c1cn[nH]c1C)n(-c1ncc(F)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OC(F)F)cc1F)c(=O)n3C.COc1cnc(-n2c(=O)[nH]c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1
InChIInChI=1S/C23H21FN6O3.C22H17F3N6O3.C21H16F2N6O2.C21H17FN6O3/c1-5-33-14-6-17(24)22(26-10-14)30-21-16-7-15(13-9-27-28(2)12-13)20(32-4)8-18(16)25-11-19(21)29(3)23(30)31;1-29-10-11(7-28-29)13-5-14-16(6-18(13)33-3)26-9-17-19(14)31(22(32)30(17)2)20-15(23)4-12(8-27-20)34-21(24)25;1-10-14(8-26-27-10)12-5-13-16(6-18(12)31-3)24-9-17-19(13)29(21(30)28(17)2)20-15(23)4-11(22)7-25-20;1-27-10-11(7-25-27)13-5-14-16(6-18(13)31-3)23-9-17-19(14)28(21(29)26-17)20-15(22)4-12(30-2)8-24-20/h6-12H,5H2,1-4H3;4-10,21H,1-3H3;4-9H,1-3H3,(H,26,27);4-10H,1-3H3,(H,26,29)
InChIKeyJGUNWMWLPDFEJO-UHFFFAOYSA-N
XLogP12.72
TPSA368.45 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds17
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001761.67
LogP ≤ 512.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Analyze 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one with MolForge

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Related Compounds

US10457677, Example 114
CID 122589327
US10457677, Example 110
CID 122589414
US10457677, Example 105
CID 134325506
US10457677, Example 113
CID 134325514
US10457677, Example 204
CID 134325540
US10457677, Example 67
CID 134325541
US10457677, Example 205
CID 134325548
US10457677, Example 106
CID 134325552
US10457677, Example 66
CID 134325564
US10457677, Example 123
CID 122589388
US10457677, Example 115
CID 134325511
US10457677, Example 207
CID 134325518

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one (CID 158912321) is 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one is CCOc1cnc(-n2c(=O)n(C)c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1.COc1cc2ncc3c(c2cc1-c1cn[nH]c1C)n(-c1ncc(F)cc1F)c(=O)n3C.COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(OC(F)F)cc1F)c(=O)n3C.COc1cnc(-n2c(=O)[nH]c3cnc4cc(OC)c(-c5cnn(C)c5)cc4c32)c(F)c1.
What is the InChIKey of 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is JGUNWMWLPDFEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3.C22H17F3N6O3.C21H16F2N6O2.C21H17FN6O3/c1-5-33-14-6-17(24)22(26-10-14)30-21-16-7-15(13-9-27-28(2)12-13)20(32-4)8-18(16)25-11-19(21)29(3)23(30)31;1-29-10-11(7-28-29)13-5-14-16(6-18(13)33-3)26-9-17-19(14)31(22(32)30(17)2)20-15(23)4-12(8-27-20)34-21(24)25;1-10-14(8-26-27-10)12-5-13-16(6-18(12)31-3)24-9-17-19(13)29(21(30)28(17)2)20-15(23)4-11(22)7-25-20;1-27-10-11(7-25-27)13-5-14-16(6-18(13)31-3)23-9-17-19(14)28(21(29)26-17)20-15(22)4-12(30-2)8-24-20/h6-12H,5H2,1-4H3;4-10,21H,1-3H3;4-9H,1-3H3,(H,26,27);4-10H,1-3H3,(H,26,29).
What are the key properties of 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?
1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 1761.67 g/mol, XLogP of 12.72, 17 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3,5-difluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(5-methyl-1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(5-ethoxy-3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 158912321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).