1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile

C170H161N25O15 — CID 157126605

IUPAC1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Nc3cccnc3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Nc3cncnc3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Nc3ncccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Oc3ccccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Oc3cnccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Oc3ncccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12
InChIInChI=1S/C29H28N4O2.C29H27N3O3.2C28H27N5O2.2C28H26N4O3/c30-18-27-26-11-10-25(35-24-12-15-34-16-13-24)17-28(26)33(23-4-1-5-23)29(27)20-6-8-21(9-7-20)32-22-3-2-14-31-19-22;30-19-26-25-12-11-24(34-23-13-16-33-17-14-23)18-27(25)32(21-4-3-5-21)29(26)20-7-9-22(10-8-20)35-28-6-1-2-15-31-28;29-18-25-24-10-9-23(35-22-11-15-34-16-12-22)17-26(24)33(21-3-1-4-21)27(25)19-5-7-20(8-6-19)32-28-30-13-2-14-31-28;29-15-26-25-9-8-24(35-23-10-12-34-13-11-23)14-27(25)33(22-2-1-3-22)28(26)19-4-6-20(7-5-19)32-21-16-30-18-31-17-21;29-18-25-24-10-9-23(34-22-11-15-33-16-12-22)17-26(24)32(20-3-1-4-20)27(25)19-5-7-21(8-6-19)35-28-30-13-2-14-31-28;29-17-25-24-9-8-23(34-22-10-14-33-15-11-22)16-26(24)32(20-2-1-3-20)28(25)19-4-6-21(7-5-19)35-27-18-30-12-13-31-27/h2-3,6-11,14,17,19,23-24,32H,1,4-5,12-13,15-16H2;1-2,6-12,15,18,21,23H,3-5,13-14,16-17H2;2,5-10,13-14,17,21-22H,1,3-4,11-12,15-16H2,(H,30,31,32);4-9,14,16-18,22-23,32H,1-3,10-13H2;2,5-10,13-14,17,20,22H,1,3-4,11-12,15-16H2;4-9,12-13,16,18,20,22H,1-3,10-11,14-15H2
InChIKeyAIOPYAKKBBVQCS-UHFFFAOYSA-N
MW2794.32 g/mol
LogP37.33
Rot. Bonds36

About 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile

1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile (PubChem CID 157126605) has the molecular formula C170H161N25O15 and a molecular weight of 2794.32 g/mol. Its IUPAC name is 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile
PubChem CID157126605
Molecular FormulaC170H161N25O15
Molecular Weight2794.32 g/mol
Exact Mass2792.26
IUPAC Name1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Nc3cccnc3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Nc3cncnc3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Nc3ncccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Oc3ccccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Oc3cnccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Oc3ncccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12
InChIInChI=1S/C29H28N4O2.C29H27N3O3.2C28H27N5O2.2C28H26N4O3/c30-18-27-26-11-10-25(35-24-12-15-34-16-13-24)17-28(26)33(23-4-1-5-23)29(27)20-6-8-21(9-7-20)32-22-3-2-14-31-19-22;30-19-26-25-12-11-24(34-23-13-16-33-17-14-23)18-27(25)32(21-4-3-5-21)29(26)20-7-9-22(10-8-20)35-28-6-1-2-15-31-28;29-18-25-24-10-9-23(35-22-11-15-34-16-12-22)17-26(24)33(21-3-1-4-21)27(25)19-5-7-20(8-6-19)32-28-30-13-2-14-31-28;29-15-26-25-9-8-24(35-23-10-12-34-13-11-23)14-27(25)33(22-2-1-3-22)28(26)19-4-6-20(7-5-19)32-21-16-30-18-31-17-21;29-18-25-24-10-9-23(34-22-11-15-33-16-12-22)17-26(24)32(20-3-1-4-20)27(25)19-5-7-21(8-6-19)35-28-30-13-2-14-31-28;29-17-25-24-9-8-23(34-22-10-14-33-15-11-22)16-26(24)32(20-2-1-3-20)28(25)19-4-6-21(7-5-19)35-27-18-30-12-13-31-27/h2-3,6-11,14,17,19,23-24,32H,1,4-5,12-13,15-16H2;1-2,6-12,15,18,21,23H,3-5,13-14,16-17H2;2,5-10,13-14,17,21-22H,1,3-4,11-12,15-16H2,(H,30,31,32);4-9,14,16-18,22-23,32H,1-3,10-13H2;2,5-10,13-14,17,20,22H,1,3-4,11-12,15-16H2;4-9,12-13,16,18,20,22H,1-3,10-11,14-15H2
InChIKeyAIOPYAKKBBVQCS-UHFFFAOYSA-N
XLogP37.33
TPSA475.76 Ų
H-Bond Donors3
H-Bond Acceptors40
Rotatable Bonds36
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002794.32
LogP ≤ 537.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1040

Analyze 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate
CID 158050207
CID 158091194
CID 158091194
1-[4-(4,4-difluoropiperidin-1-yl)butyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(1-ethylpiperidin-4-yl)oxy-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole;4-[4-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]butyl]morpholine;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[4-(4-methylpiperazin-1-yl)butyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(1-methylpiperidin-4-yl)oxy-1H-benzimidazole
CID 158437911
CID 158544701
CID 158544701
1-[4-[3-Cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclopentylthiourea;1-cyclobutyl-2-[4-[(2-fluorophenyl)methylamino]phenyl]-6-(2-imidazol-1-ylethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-[4-fluoro-3-(trifluoromethyl)anilino]phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-imidazol-1-ylethoxy)-2-[4-[[2-(trifluoromethyl)phenyl]methylamino]phenyl]indole-3-carbonitrile
CID 159790651
N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate
CID 159903105
(3S)-N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-4,4,4-trifluoro-3-methylbutanamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
CID 160224327
[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
CID 160242221
CID 160248318
CID 160248318
CID 160297934
CID 160297934
N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-1-ethylcyclopropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate
CID 160318867
6-[4-(1,1-Difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 160335935

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile?
The IUPAC name of 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile (CID 157126605) is 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile.
What is the SMILES notation for 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile?
The canonical SMILES for 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile is N#Cc1c(-c2ccc(Nc3cccnc3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Nc3cncnc3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Nc3ncccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Oc3ccccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Oc3cnccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(Oc3ncccn3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.
What is the InChIKey of 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile?
The InChIKey is AIOPYAKKBBVQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2.C29H27N3O3.2C28H27N5O2.2C28H26N4O3/c30-18-27-26-11-10-25(35-24-12-15-34-16-13-24)17-28(26)33(23-4-1-5-23)29(27)20-6-8-21(9-7-20)32-22-3-2-14-31-19-22;30-19-26-25-12-11-24(34-23-13-16-33-17-14-23)18-27(25)32(21-4-3-5-21)29(26)20-7-9-22(10-8-20)35-28-6-1-2-15-31-28;29-18-25-24-10-9-23(35-22-11-15-34-16-12-22)17-26(24)33(21-3-1-4-21)27(25)19-5-7-20(8-6-19)32-28-30-13-2-14-31-28;29-15-26-25-9-8-24(35-23-10-12-34-13-11-23)14-27(25)33(22-2-1-3-22)28(26)19-4-6-20(7-5-19)32-21-16-30-18-31-17-21;29-18-25-24-10-9-23(34-22-11-15-33-16-12-22)17-26(24)32(20-3-1-4-20)27(25)19-5-7-21(8-6-19)35-28-30-13-2-14-31-28;29-17-25-24-9-8-23(34-22-10-14-33-15-11-22)16-26(24)32(20-2-1-3-20)28(25)19-4-6-21(7-5-19)35-27-18-30-12-13-31-27/h2-3,6-11,14,17,19,23-24,32H,1,4-5,12-13,15-16H2;1-2,6-12,15,18,21,23H,3-5,13-14,16-17H2;2,5-10,13-14,17,21-22H,1,3-4,11-12,15-16H2,(H,30,31,32);4-9,14,16-18,22-23,32H,1-3,10-13H2;2,5-10,13-14,17,20,22H,1,3-4,11-12,15-16H2;4-9,12-13,16,18,20,22H,1-3,10-11,14-15H2.
What are the key properties of 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile?
1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile has a molecular weight of 2794.32 g/mol, XLogP of 37.33, 36 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrazin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyridin-3-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyridin-2-yloxyphenyl)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-(pyrimidin-5-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-(4-pyrimidin-2-yloxyphenyl)indole-3-carbonitrile is sourced from PubChem (CID 157126605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).