1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea

C124H135F10N25O6 — CID 157478843

IUPAC1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
SMILESCOc1cccc(N2CCC(NC(=O)Nc3cccc4c(C)nc(C)cc34)CC2)n1.Cc1cc(C(F)(F)F)cc(N2CCC(NC(=O)Nc3cccc4c(C)nc(C)cc34)CC2)n1.Cc1cc2c(NC(=O)NC3CCN(c4cccc(C(C)(F)F)n4)CC3)cccc2c(C)n1.Cc1cc2c(NC(=O)NC3CCN(c4ncccc4C(C)(F)F)CC3)cccc2c(C)n1.Cc1nccc2c(NC(=O)NC3CCN(c4ncc(C(C)(F)F)cc4-c4ccc(F)cc4)CC3)cccc12
InChIInChI=1S/C29H28F3N5O.C24H26F3N5O.2C24H27F2N5O.C23H27N5O2/c1-18-23-4-3-5-26(24(23)10-13-33-18)36-28(38)35-22-11-14-37(15-12-22)27-25(19-6-8-21(30)9-7-19)16-20(17-34-27)29(2,31)32;1-14-11-17(24(25,26)27)13-22(29-14)32-9-7-18(8-10-32)30-23(33)31-21-6-4-5-19-16(3)28-15(2)12-20(19)21;1-15-14-19-18(16(2)28-15)6-4-8-21(19)30-23(32)29-17-9-12-31(13-10-17)22-20(24(3,25)26)7-5-11-27-22;1-15-14-19-18(16(2)27-15)6-4-7-20(19)29-23(32)28-17-10-12-31(13-11-17)22-9-5-8-21(30-22)24(3,25)26;1-15-14-19-18(16(2)24-15)6-4-7-20(19)26-23(29)25-17-10-12-28(13-11-17)21-8-5-9-22(27-21)30-3/h3-10,13,16-17,22H,11-12,14-15H2,1-2H3,(H2,35,36,38);4-6,11-13,18H,7-10H2,1-3H3,(H2,30,31,33);4-8,11,14,17H,9-10,12-13H2,1-3H3,(H2,29,30,32);4-9,14,17H,10-13H2,1-3H3,(H2,28,29,32);4-9,14,17H,10-13H2,1-3H3,(H2,25,26,29)
InChIKeyBVXOSRSZNMDJMN-UHFFFAOYSA-N
MW2261.59 g/mol
LogP26.35
Rot. Bonds20

About 1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea

1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea (PubChem CID 157478843) has the molecular formula C124H135F10N25O6 and a molecular weight of 2261.59 g/mol. Its IUPAC name is 1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
PubChem CID157478843
Molecular FormulaC124H135F10N25O6
Molecular Weight2261.59 g/mol
Exact Mass2260.09
IUPAC Name1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
SMILESCOc1cccc(N2CCC(NC(=O)Nc3cccc4c(C)nc(C)cc34)CC2)n1.Cc1cc(C(F)(F)F)cc(N2CCC(NC(=O)Nc3cccc4c(C)nc(C)cc34)CC2)n1.Cc1cc2c(NC(=O)NC3CCN(c4cccc(C(C)(F)F)n4)CC3)cccc2c(C)n1.Cc1cc2c(NC(=O)NC3CCN(c4ncccc4C(C)(F)F)CC3)cccc2c(C)n1.Cc1nccc2c(NC(=O)NC3CCN(c4ncc(C(C)(F)F)cc4-c4ccc(F)cc4)CC3)cccc12
InChIInChI=1S/C29H28F3N5O.C24H26F3N5O.2C24H27F2N5O.C23H27N5O2/c1-18-23-4-3-5-26(24(23)10-13-33-18)36-28(38)35-22-11-14-37(15-12-22)27-25(19-6-8-21(30)9-7-19)16-20(17-34-27)29(2,31)32;1-14-11-17(24(25,26)27)13-22(29-14)32-9-7-18(8-10-32)30-23(33)31-21-6-4-5-19-16(3)28-15(2)12-20(19)21;1-15-14-19-18(16(2)28-15)6-4-8-21(19)30-23(32)29-17-9-12-31(13-10-17)22-20(24(3,25)26)7-5-11-27-22;1-15-14-19-18(16(2)27-15)6-4-7-20(19)29-23(32)28-17-10-12-31(13-11-17)22-9-5-8-21(30-22)24(3,25)26;1-15-14-19-18(16(2)24-15)6-4-7-20(19)26-23(29)25-17-10-12-28(13-11-17)21-8-5-9-22(27-21)30-3/h3-10,13,16-17,22H,11-12,14-15H2,1-2H3,(H2,35,36,38);4-6,11-13,18H,7-10H2,1-3H3,(H2,30,31,33);4-8,11,14,17H,9-10,12-13H2,1-3H3,(H2,29,30,32);4-9,14,17H,10-13H2,1-3H3,(H2,28,29,32);4-9,14,17H,10-13H2,1-3H3,(H2,25,26,29)
InChIKeyBVXOSRSZNMDJMN-UHFFFAOYSA-N
XLogP26.35
TPSA359.98 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002261.59
LogP ≤ 526.35
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

N-(3-Methoxyphenyl)-4-({[8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-5-YL]amino}methyl)piperidine-1-carboxamide
CID 24735198
1-[1-[6-Methoxy-3-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea
CID 10049852
N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-[(6-methoxypyridin-3-yl)methyl]isoquinolin-1-amine
CID 10113313
1-[1-[6-Methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;hydrochloride
CID 10391094
1-[1-[6-Methoxy-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea
CID 10391095
4-[(6-methoxypyridin-3-yl)methyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 20636396
1-[1-[5-(1,1-Difluoroethyl)-6-methoxy-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea
CID 57675241
5,7-difluoro-N-(6'-methoxy-2'-methyl-6-morpholino-3,3'-bipyridin-4-yl)-3-methyl-2-(4-methylpyridin-2-yl)quinolin-4-amine
CID 66631946
5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 66632125
5,7-difluoro-N-(6'-methoxy-6-morpholino-3,3'-bipyridin-4-yl)-3-methyl-2-(6-methylpyridin-3-yl)quinolin-4-amine
CID 66632225
5,7-difluoro-N-(5'-fluoro-2'-methoxy-6-morpholino-3,4'-bipyridin-4-yl)-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 66632234
5,7-difluoro-N-(6'-methoxy-6-morpholino-3,3'-bipyridin-4-yl)-3-methyl-2-(6-methylpyridin-2-yl)quinolin-4-amine
CID 66632353

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea?
The IUPAC name of 1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea (CID 157478843) is 1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea?
The canonical SMILES for 1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea is COc1cccc(N2CCC(NC(=O)Nc3cccc4c(C)nc(C)cc34)CC2)n1.Cc1cc(C(F)(F)F)cc(N2CCC(NC(=O)Nc3cccc4c(C)nc(C)cc34)CC2)n1.Cc1cc2c(NC(=O)NC3CCN(c4cccc(C(C)(F)F)n4)CC3)cccc2c(C)n1.Cc1cc2c(NC(=O)NC3CCN(c4ncccc4C(C)(F)F)CC3)cccc2c(C)n1.Cc1nccc2c(NC(=O)NC3CCN(c4ncc(C(C)(F)F)cc4-c4ccc(F)cc4)CC3)cccc12.
What is the InChIKey of 1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea?
The InChIKey is BVXOSRSZNMDJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N5O.C24H26F3N5O.2C24H27F2N5O.C23H27N5O2/c1-18-23-4-3-5-26(24(23)10-13-33-18)36-28(38)35-22-11-14-37(15-12-22)27-25(19-6-8-21(30)9-7-19)16-20(17-34-27)29(2,31)32;1-14-11-17(24(25,26)27)13-22(29-14)32-9-7-18(8-10-32)30-23(33)31-21-6-4-5-19-16(3)28-15(2)12-20(19)21;1-15-14-19-18(16(2)28-15)6-4-8-21(19)30-23(32)29-17-9-12-31(13-10-17)22-20(24(3,25)26)7-5-11-27-22;1-15-14-19-18(16(2)27-15)6-4-7-20(19)29-23(32)28-17-10-12-31(13-11-17)22-9-5-8-21(30-22)24(3,25)26;1-15-14-19-18(16(2)24-15)6-4-7-20(19)26-23(29)25-17-10-12-28(13-11-17)21-8-5-9-22(27-21)30-3/h3-10,13,16-17,22H,11-12,14-15H2,1-2H3,(H2,35,36,38);4-6,11-13,18H,7-10H2,1-3H3,(H2,30,31,33);4-8,11,14,17H,9-10,12-13H2,1-3H3,(H2,29,30,32);4-9,14,17H,10-13H2,1-3H3,(H2,28,29,32);4-9,14,17H,10-13H2,1-3H3,(H2,25,26,29).
What are the key properties of 1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea?
1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea has a molecular weight of 2261.59 g/mol, XLogP of 26.35, 20 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(1,1-difluoroethyl)-3-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea;1-[1-[3-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]piperidin-4-yl]-3-(1,3-dimethylisoquinolin-5-yl)urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]urea;1-(1,3-dimethylisoquinolin-5-yl)-3-[1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea is sourced from PubChem (CID 157478843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).