1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid

C109H120F4N12O11 — CID 161177425

IUPAC1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid
SMILESCc1cccc(-c2cccc(-c3c(C)c(C(=O)O)nn3C(C)C)n2)c1OCc1ccc2c(c1)CCN(C1CCC(F)(F)CC1)C2.Cc1cccc(-c2cccc(-c3c(C)c(C(=O)O)nn3C3CC3)n2)c1OCc1ccc2c(c1)CCN(C1CCC(F)(F)CC1)C2.Cc1cccc(-c2cccc(-c3c(C)c(C(=O)O)nn3C3CCOCC3)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2
InChIInChI=1S/C37H42N4O5.C36H38F2N4O3.C36H40F2N4O3/c1-24-5-3-6-31(36(24)46-23-26-9-10-28-22-40(16-11-27(28)21-26)29-12-17-44-18-13-29)32-7-4-8-33(38-32)35-25(2)34(37(42)43)39-41(35)30-14-19-45-20-15-30;1-22-5-3-6-29(30-7-4-8-31(39-30)33-23(2)32(35(43)44)40-42(33)28-11-12-28)34(22)45-21-24-9-10-26-20-41(18-15-25(26)19-24)27-13-16-36(37,38)17-14-27;1-22(2)42-33(24(4)32(40-42)35(43)44)31-10-6-9-30(39-31)29-8-5-7-23(3)34(29)45-21-25-11-12-27-20-41(18-15-26(27)19-25)28-13-16-36(37,38)17-14-28/h3-10,21,29-30H,11-20,22-23H2,1-2H3,(H,42,43);3-10,19,27-28H,11-18,20-21H2,1-2H3,(H,43,44);5-12,19,22,28H,13-18,20-21H2,1-4H3,(H,43,44)
InChIKeyURZPWPXLJGSMCY-UHFFFAOYSA-N
MW1850.22 g/mol
LogP22.19
Rot. Bonds24

About 1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid

1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid (PubChem CID 161177425) has the molecular formula C109H120F4N12O11 and a molecular weight of 1850.22 g/mol. Its IUPAC name is 1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid
PubChem CID161177425
Molecular FormulaC109H120F4N12O11
Molecular Weight1850.22 g/mol
Exact Mass1848.91
IUPAC Name1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid
SMILESCc1cccc(-c2cccc(-c3c(C)c(C(=O)O)nn3C(C)C)n2)c1OCc1ccc2c(c1)CCN(C1CCC(F)(F)CC1)C2.Cc1cccc(-c2cccc(-c3c(C)c(C(=O)O)nn3C3CC3)n2)c1OCc1ccc2c(c1)CCN(C1CCC(F)(F)CC1)C2.Cc1cccc(-c2cccc(-c3c(C)c(C(=O)O)nn3C3CCOCC3)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2
InChIInChI=1S/C37H42N4O5.C36H38F2N4O3.C36H40F2N4O3/c1-24-5-3-6-31(36(24)46-23-26-9-10-28-22-40(16-11-27(28)21-26)29-12-17-44-18-13-29)32-7-4-8-33(38-32)35-25(2)34(37(42)43)39-41(35)30-14-19-45-20-15-30;1-22-5-3-6-29(30-7-4-8-31(39-30)33-23(2)32(35(43)44)40-42(33)28-11-12-28)34(22)45-21-24-9-10-26-20-41(18-15-25(26)19-24)27-13-16-36(37,38)17-14-27;1-22(2)42-33(24(4)32(40-42)35(43)44)31-10-6-9-30(39-31)29-8-5-7-23(3)34(29)45-21-25-11-12-27-20-41(18-15-26(27)19-25)28-13-16-36(37,38)17-14-28/h3-10,21,29-30H,11-20,22-23H2,1-2H3,(H,42,43);3-10,19,27-28H,11-18,20-21H2,1-2H3,(H,43,44);5-12,19,22,28H,13-18,20-21H2,1-4H3,(H,43,44)
InChIKeyURZPWPXLJGSMCY-UHFFFAOYSA-N
XLogP22.19
TPSA259.90 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001850.22
LogP ≤ 522.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid 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

4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid
CID 66547696
5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]pyridin-2-yl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 66547697
1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]pyridin-2-yl]-4-methylpyrazole-3-carboxylic acid
CID 66547866
1-methyl-5-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid
CID 66546083
1,4-dimethyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid
CID 66547177
5-[6-[2-[(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxylic acid
CID 66547352
1-ethyl-4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid
CID 66547353
1,4-dimethyl-5-[6-[5-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid
CID 66547354
1,4-dimethyl-5-[6-[5-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid
CID 66547529
4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-propan-2-ylpyrazole-3-carboxylic acid
CID 66547530
1-tert-butyl-4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid
CID 66547531
1-(2-carboxyethyl)-4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid
CID 66547532

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid (CID 161177425) is 1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid is Cc1cccc(-c2cccc(-c3c(C)c(C(=O)O)nn3C(C)C)n2)c1OCc1ccc2c(c1)CCN(C1CCC(F)(F)CC1)C2.Cc1cccc(-c2cccc(-c3c(C)c(C(=O)O)nn3C3CC3)n2)c1OCc1ccc2c(c1)CCN(C1CCC(F)(F)CC1)C2.Cc1cccc(-c2cccc(-c3c(C)c(C(=O)O)nn3C3CCOCC3)n2)c1OCc1ccc2c(c1)CCN(C1CCOCC1)C2.
What is the InChIKey of 1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid?
The InChIKey is URZPWPXLJGSMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N4O5.C36H38F2N4O3.C36H40F2N4O3/c1-24-5-3-6-31(36(24)46-23-26-9-10-28-22-40(16-11-27(28)21-26)29-12-17-44-18-13-29)32-7-4-8-33(38-32)35-25(2)34(37(42)43)39-41(35)30-14-19-45-20-15-30;1-22-5-3-6-29(30-7-4-8-31(39-30)33-23(2)32(35(43)44)40-42(33)28-11-12-28)34(22)45-21-24-9-10-26-20-41(18-15-25(26)19-24)27-13-16-36(37,38)17-14-27;1-22(2)42-33(24(4)32(40-42)35(43)44)31-10-6-9-30(39-31)29-8-5-7-23(3)34(29)45-21-25-11-12-27-20-41(18-15-26(27)19-25)28-13-16-36(37,38)17-14-28/h3-10,21,29-30H,11-20,22-23H2,1-2H3,(H,42,43);3-10,19,27-28H,11-18,20-21H2,1-2H3,(H,43,44);5-12,19,22,28H,13-18,20-21H2,1-4H3,(H,43,44).
What are the key properties of 1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid?
1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid has a molecular weight of 1850.22 g/mol, XLogP of 22.19, 24 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methylpyrazole-3-carboxylic acid;5-[6-[2-[[2-(4,4-difluorocyclohexyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]-3-methylphenyl]-2-pyridinyl]-4-methyl-1-propan-2-ylpyrazole-3-carboxylic acid;4-methyl-5-[6-[3-methyl-2-[[2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-1-(oxan-4-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 161177425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).