1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C80H69F12N17O6 — CID 161368575

IUPAC1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(Cn2ncc3c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cncc32)cc1.Cn1ncc2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)cnc(CN3CCOCC3)c21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)cnc(CN3CCOCC3)c21
InChIInChI=1S/C28H22F3N5O2.C26H23F5N6O2.C26H24F4N6O2/c1-38-23-11-5-18(6-12-23)17-36-26-16-32-14-24(25(26)15-33-36)19-7-9-21(10-8-19)34-27(37)35-22-4-2-3-20(13-22)28(29,30)31;1-36-24-18(13-33-36)17(12-32-23(24)14-37-6-8-39-9-7-37)15-2-5-21(20(28)10-15)34-25(38)35-22-11-16(26(29,30)31)3-4-19(22)27;1-35-24-20(14-32-35)19(13-31-23(24)15-36-7-9-38-10-8-36)16-5-6-22(21(27)11-16)34-25(37)33-18-4-2-3-17(12-18)26(28,29)30/h2-16H,17H2,1H3,(H2,34,35,37);2-5,10-13H,6-9,14H2,1H3,(H2,34,35,38);2-6,11-14H,7-10,15H2,1H3,(H2,33,34,37)
InChIKeyVQDRXURNUXKSIQ-UHFFFAOYSA-N
MW1592.52 g/mol
LogP17.50
Rot. Bonds16

About 1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 161368575) has the molecular formula C80H69F12N17O6 and a molecular weight of 1592.52 g/mol. Its IUPAC name is 1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID161368575
Molecular FormulaC80H69F12N17O6
Molecular Weight1592.52 g/mol
Exact Mass1591.54
IUPAC Name1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(Cn2ncc3c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cncc32)cc1.Cn1ncc2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)cnc(CN3CCOCC3)c21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)cnc(CN3CCOCC3)c21
InChIInChI=1S/C28H22F3N5O2.C26H23F5N6O2.C26H24F4N6O2/c1-38-23-11-5-18(6-12-23)17-36-26-16-32-14-24(25(26)15-33-36)19-7-9-21(10-8-19)34-27(37)35-22-4-2-3-20(13-22)28(29,30)31;1-36-24-18(13-33-36)17(12-32-23(24)14-37-6-8-39-9-7-37)15-2-5-21(20(28)10-15)34-25(38)35-22-11-16(26(29,30)31)3-4-19(22)27;1-35-24-20(14-32-35)19(13-31-23(24)15-36-7-9-38-10-8-36)16-5-6-22(21(27)11-16)34-25(37)33-18-4-2-3-17(12-18)26(28,29)30/h2-16H,17H2,1H3,(H2,34,35,37);2-5,10-13H,6-9,14H2,1H3,(H2,34,35,38);2-6,11-14H,7-10,15H2,1H3,(H2,33,34,37)
InChIKeyVQDRXURNUXKSIQ-UHFFFAOYSA-N
XLogP17.50
TPSA249.69 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001592.52
LogP ≤ 517.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-(2-Methoxy-5-trifluoromethyl-phenyl)-3-[4-(1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)-phenyl]-urea
CID 24988688
1-(2-Fluoro-5-trifluoromethyl-phenyl)-3-[2-methoxy-4-(1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)-phenyl]-urea
CID 24989050
1-[2-Methoxy-4-(1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 57606917
1-[4-[1-[(4-Methoxyphenyl)methyl]pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 57606947
1-[2-Fluoro-4-[[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-[2-fluoro-4-[[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-pyridinyl]oxy]phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 87164297
1-[2-fluoro-4-[[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-N-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]anilino]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 87164298
1-[2-fluoro-4-[[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]phenyl]-1-[2-fluoro-4-[[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-N-[(5-propan-2-yl-3-pyridinyl)carbamoyl]anilino]-3-(5-propan-2-yl-3-pyridinyl)urea
CID 87164313
1-[2,3-difluoro-4-[[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]phenyl]-1-[2,3-difluoro-4-[[2-[1-(2-methoxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-N-[(5-propan-2-yl-3-pyridinyl)carbamoyl]anilino]-3-(5-propan-2-yl-3-pyridinyl)urea
CID 87361906
Ethane;1-[2-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 143691260
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1-methylpyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 145254525
N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 157133523
1-[4-[5-[2-(Dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157265100

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 161368575) is 1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is COc1ccc(Cn2ncc3c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cncc32)cc1.Cn1ncc2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)cnc(CN3CCOCC3)c21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)cnc(CN3CCOCC3)c21.
What is the InChIKey of 1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is VQDRXURNUXKSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3N5O2.C26H23F5N6O2.C26H24F4N6O2/c1-38-23-11-5-18(6-12-23)17-36-26-16-32-14-24(25(26)15-33-36)19-7-9-21(10-8-19)34-27(37)35-22-4-2-3-20(13-22)28(29,30)31;1-36-24-18(13-33-36)17(12-32-23(24)14-37-6-8-39-9-7-37)15-2-5-21(20(28)10-15)34-25(38)35-22-11-16(26(29,30)31)3-4-19(22)27;1-35-24-20(14-32-35)19(13-31-23(24)15-36-7-9-38-10-8-36)16-5-6-22(21(27)11-16)34-25(37)33-18-4-2-3-17(12-18)26(28,29)30/h2-16H,17H2,1H3,(H2,34,35,37);2-5,10-13H,6-9,14H2,1H3,(H2,34,35,38);2-6,11-14H,7-10,15H2,1H3,(H2,33,34,37).
What are the key properties of 1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 1592.52 g/mol, XLogP of 17.50, 16 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea;1-[2-fluoro-4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 161368575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).