2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea

C85H90F9N19O3 — CID 158373968

IUPAC2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
SMILESCN1CCN(Cc2ccc(NC(=O)Cc3cc(-c4ccc5ccncc5c4)n(C)n3)cc2C(F)(F)F)CC1.Cc1cc2ccc(-c3cc(NC(=O)Cc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1.Cc1cc2ccc(-c3cc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1
InChIInChI=1S/C29H31F3N6O.C28H30F3N7O.C28H29F3N6O/c1-19-12-21-6-7-22(15-24(21)17-33-19)26-16-27(35-37(26)3)34-28(39)14-20-4-5-23(25(13-20)29(30,31)32)18-38-10-8-36(2)9-11-38;1-18-12-19-4-5-20(13-22(19)16-32-18)25-15-26(35-37(25)3)34-27(39)33-23-7-6-21(24(14-23)28(29,30)31)17-38-10-8-36(2)9-11-38;1-35-9-11-37(12-10-35)18-21-5-6-23(14-25(21)28(29,30)31)33-27(38)16-24-15-26(36(2)34-24)20-4-3-19-7-8-32-17-22(19)13-20/h4-7,12-13,15-17H,8-11,14,18H2,1-3H3,(H,34,35,39);4-7,12-16H,8-11,17H2,1-3H3,(H2,33,34,35,39);3-8,13-15,17H,9-12,16,18H2,1-2H3,(H,33,38)
InChIKeyGUYVQDLCBRWJIM-UHFFFAOYSA-N
MW1596.77 g/mol
LogP14.83
Rot. Bonds17

About 2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea

2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea (PubChem CID 158373968) has the molecular formula C85H90F9N19O3 and a molecular weight of 1596.77 g/mol. Its IUPAC name is 2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
PubChem CID158373968
Molecular FormulaC85H90F9N19O3
Molecular Weight1596.77 g/mol
Exact Mass1595.73
IUPAC Name2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
SMILESCN1CCN(Cc2ccc(NC(=O)Cc3cc(-c4ccc5ccncc5c4)n(C)n3)cc2C(F)(F)F)CC1.Cc1cc2ccc(-c3cc(NC(=O)Cc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1.Cc1cc2ccc(-c3cc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1
InChIInChI=1S/C29H31F3N6O.C28H30F3N7O.C28H29F3N6O/c1-19-12-21-6-7-22(15-24(21)17-33-19)26-16-27(35-37(26)3)34-28(39)14-20-4-5-23(25(13-20)29(30,31)32)18-38-10-8-36(2)9-11-38;1-18-12-19-4-5-20(13-22(19)16-32-18)25-15-26(35-37(25)3)34-27(39)33-23-7-6-21(24(14-23)28(29,30)31)17-38-10-8-36(2)9-11-38;1-35-9-11-37(12-10-35)18-21-5-6-23(14-25(21)28(29,30)31)33-27(38)16-24-15-26(36(2)34-24)20-4-3-19-7-8-32-17-22(19)13-20/h4-7,12-13,15-17H,8-11,14,18H2,1-3H3,(H,34,35,39);4-7,12-16H,8-11,17H2,1-3H3,(H2,33,34,35,39);3-8,13-15,17H,9-12,16,18H2,1-2H3,(H,33,38)
InChIKeyGUYVQDLCBRWJIM-UHFFFAOYSA-N
XLogP14.83
TPSA210.90 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001596.77
LogP ≤ 514.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-[[4-[4-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-4-oxobutyl]piperazin-1-yl]methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 168271498
3-[4-[2-[1-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethyl]piperidin-4-yl]ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 168295595
3-[5-[2-[1-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethyl]piperidin-4-yl]ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 168290057
3-[4-[2-[1-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 168274694
5-(4-(((1r,4r)-4-(5-Acetyl-3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)cyclohexyl)methyl)piperazin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CID 171364440
5-[[3-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]-3-oxopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177190841
3-[6-[4-[[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177190869
5-[4-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177649484
4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide
CID 177655440
2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenylpyridin-2-yl)amino]ethyl]-2-(trifluoromethyl)phenyl]pyridin-2-yl]pyridin-4-yl]phenyl]-N-(6-phenylpyridazin-3-yl)acetamide
CID 91224964
2-[5-(3-aminoisoquinolin-7-yl)-1-methylpyrazol-3-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 130386685
N-[5-(3-aminoisoquinolin-7-yl)-1-methylpyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 130386787

Frequently Asked Questions

What is the IUPAC name of 2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea (CID 158373968) is 2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea is CN1CCN(Cc2ccc(NC(=O)Cc3cc(-c4ccc5ccncc5c4)n(C)n3)cc2C(F)(F)F)CC1.Cc1cc2ccc(-c3cc(NC(=O)Cc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1.Cc1cc2ccc(-c3cc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)nn3C)cc2cn1.
What is the InChIKey of 2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea?
The InChIKey is GUYVQDLCBRWJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N6O.C28H30F3N7O.C28H29F3N6O/c1-19-12-21-6-7-22(15-24(21)17-33-19)26-16-27(35-37(26)3)34-28(39)14-20-4-5-23(25(13-20)29(30,31)32)18-38-10-8-36(2)9-11-38;1-18-12-19-4-5-20(13-22(19)16-32-18)25-15-26(35-37(25)3)34-27(39)33-23-7-6-21(24(14-23)28(29,30)31)17-38-10-8-36(2)9-11-38;1-35-9-11-37(12-10-35)18-21-5-6-23(14-25(21)28(29,30)31)33-27(38)16-24-15-26(36(2)34-24)20-4-3-19-7-8-32-17-22(19)13-20/h4-7,12-13,15-17H,8-11,14,18H2,1-3H3,(H,34,35,39);4-7,12-16H,8-11,17H2,1-3H3,(H2,33,34,35,39);3-8,13-15,17H,9-12,16,18H2,1-2H3,(H,33,38).
What are the key properties of 2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea?
2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea has a molecular weight of 1596.77 g/mol, XLogP of 14.83, 17 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;N-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide;1-[1-methyl-5-(3-methylisoquinolin-7-yl)pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 158373968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).