N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea

C164H170N30O18 — CID 162180310

IUPACN-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CC2)cc1.CC(C)[C@H](C)CC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CC2)cc1.N#Cc1c(-c2ccc(NC(=O)CC3CCC3)cc2)n(C2CC2)c2cc(OCC3COCO3)ccc12.N#Cc1c(-c2ccc(NC(=O)CCC3CC3)cc2)n(C2CC2)c2cc(OCC3COCO3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CC3)cc2)n(C2CC2)c2cc(OCCn3cncn3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CC2)c2cc(OCCn3cncn3)ccc12
InChIInChI=1S/C29H33N3O4.2C28H29N3O4.C27H27N7O2.C26H25N7O2.C26H27N7O2/c1-18(2)19(3)12-28(33)31-21-6-4-20(5-7-21)29-26(14-30)25-11-10-23(35-16-24-15-34-17-36-24)13-27(25)32(29)22-8-9-22;29-14-25-24-11-10-22(34-16-23-15-33-17-35-23)13-26(24)31(21-8-9-21)28(25)19-4-6-20(7-5-19)30-27(32)12-3-18-1-2-18;29-14-25-24-11-10-22(34-16-23-15-33-17-35-23)13-26(24)31(21-8-9-21)28(25)19-4-6-20(7-5-19)30-27(32)12-18-2-1-3-18;28-15-24-23-11-10-22(36-13-12-33-17-29-16-30-33)14-25(23)34(21-8-9-21)26(24)18-4-6-20(7-5-18)32-27(35)31-19-2-1-3-19;27-14-23-22-10-9-21(35-12-11-32-16-28-15-29-32)13-24(22)33(20-7-8-20)25(23)17-1-3-18(4-2-17)30-26(34)31-19-5-6-19;1-17(2)30-26(34)31-19-5-3-18(4-6-19)25-23(14-27)22-10-9-21(13-24(22)33(25)20-7-8-20)35-12-11-32-16-28-15-29-32/h4-7,10-11,13,18-19,22,24H,8-9,12,15-17H2,1-3H3,(H,31,33);2*4-7,10-11,13,18,21,23H,1-3,8-9,12,15-17H2,(H,30,32);4-7,10-11,14,16-17,19,21H,1-3,8-9,12-13H2,(H2,31,32,35);1-4,9-10,13,15-16,19-20H,5-8,11-12H2,(H2,30,31,34);3-6,9-10,13,15-17,20H,7-8,11-12H2,1-2H3,(H2,30,31,34)/t19-,24?;;;;;/m1...../s1
InChIKeyZOXVRKFLYOFPGL-QCZIHPFGSA-N
MW2849.36 g/mol
LogP30.72
Rot. Bonds50

About N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea

N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea (PubChem CID 162180310) has the molecular formula C164H170N30O18 and a molecular weight of 2849.36 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound NameN-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
PubChem CID162180310
Molecular FormulaC164H170N30O18
Molecular Weight2849.36 g/mol
Exact Mass2847.33
IUPAC NameN-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CC2)cc1.CC(C)[C@H](C)CC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CC2)cc1.N#Cc1c(-c2ccc(NC(=O)CC3CCC3)cc2)n(C2CC2)c2cc(OCC3COCO3)ccc12.N#Cc1c(-c2ccc(NC(=O)CCC3CC3)cc2)n(C2CC2)c2cc(OCC3COCO3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CC3)cc2)n(C2CC2)c2cc(OCCn3cncn3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CC2)c2cc(OCCn3cncn3)ccc12
InChIInChI=1S/C29H33N3O4.2C28H29N3O4.C27H27N7O2.C26H25N7O2.C26H27N7O2/c1-18(2)19(3)12-28(33)31-21-6-4-20(5-7-21)29-26(14-30)25-11-10-23(35-16-24-15-34-17-36-24)13-27(25)32(29)22-8-9-22;29-14-25-24-11-10-22(34-16-23-15-33-17-35-23)13-26(24)31(21-8-9-21)28(25)19-4-6-20(7-5-19)30-27(32)12-3-18-1-2-18;29-14-25-24-11-10-22(34-16-23-15-33-17-35-23)13-26(24)31(21-8-9-21)28(25)19-4-6-20(7-5-19)30-27(32)12-18-2-1-3-18;28-15-24-23-11-10-22(36-13-12-33-17-29-16-30-33)14-25(23)34(21-8-9-21)26(24)18-4-6-20(7-5-18)32-27(35)31-19-2-1-3-19;27-14-23-22-10-9-21(35-12-11-32-16-28-15-29-32)13-24(22)33(20-7-8-20)25(23)17-1-3-18(4-2-17)30-26(34)31-19-5-6-19;1-17(2)30-26(34)31-19-5-3-18(4-6-19)25-23(14-27)22-10-9-21(13-24(22)33(25)20-7-8-20)35-12-11-32-16-28-15-29-32/h4-7,10-11,13,18-19,22,24H,8-9,12,15-17H2,1-3H3,(H,31,33);2*4-7,10-11,13,18,21,23H,1-3,8-9,12,15-17H2,(H,30,32);4-7,10-11,14,16-17,19,21H,1-3,8-9,12-13H2,(H2,31,32,35);1-4,9-10,13,15-16,19-20H,5-8,11-12H2,(H2,30,31,34);3-6,9-10,13,15-17,20H,7-8,11-12H2,1-2H3,(H2,30,31,34)/t19-,24?;;;;;/m1...../s1
InChIKeyZOXVRKFLYOFPGL-QCZIHPFGSA-N
XLogP30.72
TPSA585.90 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds50
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002849.36
LogP ≤ 530.72
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Analyze N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea with MolForge

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Related Compounds

1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea
CID 59430479
N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide
CID 59430606
1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
CID 25052173
1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-oxazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
CID 59430625
N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
CID 159881831
1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 59430594
1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 158922243
1-[4-[3-cyano-1-cyclobutyl-6-[2-(oxolan-3-ylsulfinyl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
CID 59425044
1-[4-(3-cyano-1-cyclopropyl-6-ethoxyindol-2-yl)phenyl]-3-(oxan-4-yl)urea
CID 59426368
1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazolidin-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea
CID 59430487
1-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]-3-cyclobutylurea
CID 59426201
1-[4-[6-[(Z)-4-amino-3-(methylamino)but-3-enoxy]-3-cyano-1-cyclobutylindol-2-yl]phenyl]-3-propan-2-ylurea
CID 143509758

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea?
The IUPAC name of N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea (CID 162180310) is N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CC2)cc1.CC(C)[C@H](C)CC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CC2)cc1.N#Cc1c(-c2ccc(NC(=O)CC3CCC3)cc2)n(C2CC2)c2cc(OCC3COCO3)ccc12.N#Cc1c(-c2ccc(NC(=O)CCC3CC3)cc2)n(C2CC2)c2cc(OCC3COCO3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CC3)cc2)n(C2CC2)c2cc(OCCn3cncn3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CC2)c2cc(OCCn3cncn3)ccc12.
What is the InChIKey of N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea?
The InChIKey is ZOXVRKFLYOFPGL-QCZIHPFGSA-N. The full InChI is InChI=1S/C29H33N3O4.2C28H29N3O4.C27H27N7O2.C26H25N7O2.C26H27N7O2/c1-18(2)19(3)12-28(33)31-21-6-4-20(5-7-21)29-26(14-30)25-11-10-23(35-16-24-15-34-17-36-24)13-27(25)32(29)22-8-9-22;29-14-25-24-11-10-22(34-16-23-15-33-17-35-23)13-26(24)31(21-8-9-21)28(25)19-4-6-20(7-5-19)30-27(32)12-3-18-1-2-18;29-14-25-24-11-10-22(34-16-23-15-33-17-35-23)13-26(24)31(21-8-9-21)28(25)19-4-6-20(7-5-19)30-27(32)12-18-2-1-3-18;28-15-24-23-11-10-22(36-13-12-33-17-29-16-30-33)14-25(23)34(21-8-9-21)26(24)18-4-6-20(7-5-18)32-27(35)31-19-2-1-3-19;27-14-23-22-10-9-21(35-12-11-32-16-28-15-29-32)13-24(22)33(20-7-8-20)25(23)17-1-3-18(4-2-17)30-26(34)31-19-5-6-19;1-17(2)30-26(34)31-19-5-3-18(4-6-19)25-23(14-27)22-10-9-21(13-24(22)33(25)20-7-8-20)35-12-11-32-16-28-15-29-32/h4-7,10-11,13,18-19,22,24H,8-9,12,15-17H2,1-3H3,(H,31,33);2*4-7,10-11,13,18,21,23H,1-3,8-9,12,15-17H2,(H,30,32);4-7,10-11,14,16-17,19,21H,1-3,8-9,12-13H2,(H2,31,32,35);1-4,9-10,13,15-16,19-20H,5-8,11-12H2,(H2,30,31,34);3-6,9-10,13,15-17,20H,7-8,11-12H2,1-2H3,(H2,30,31,34)/t19-,24?;;;;;/m1...../s1.
What are the key properties of N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea?
N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea has a molecular weight of 2849.36 g/mol, XLogP of 30.72, 50 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 162180310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).