1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea

C181H217N21O24S2 — CID 159195762

IUPAC1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
SMILESCC(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.CCOc1ccc2c(C(=O)NC3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(S(=O)(=O)CC)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCS(=O)(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.CN(C(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12)C1CC1.O=C(Nc1ccc(-c2c(C(=O)NC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
InChIInChI=1S/C33H40N4O4.C32H38N4O4.C30H37N3O5S.C30H35N3O4.C29H34N4O3.C27H33N3O4S/c1-36(24-12-13-24)32(38)30-28-15-14-27(41-26-16-18-40-19-17-26)20-29(28)37(25-6-3-7-25)31(30)21-8-10-23(11-9-21)35-33(39)34-22-4-2-5-22;37-31(33-22-11-12-22)29-27-14-13-26(40-25-15-17-39-18-16-25)19-28(27)36(24-5-2-6-24)30(29)20-7-9-23(10-8-20)35-32(38)34-21-3-1-4-21;1-2-39(35,36)29-26-14-13-25(38-24-15-17-37-18-16-24)19-27(26)33(23-7-4-8-23)28(29)20-9-11-22(12-10-20)32-30(34)31-21-5-3-6-21;1-19(34)28-26-13-12-25(37-24-14-16-36-17-15-24)18-27(26)33(23-6-3-7-23)29(28)20-8-10-22(11-9-20)32-30(35)31-21-4-2-5-21;1-2-36-23-15-16-24-25(17-23)33(22-7-4-8-22)27(26(24)28(34)30-20-13-14-20)18-9-11-21(12-10-18)32-29(35)31-19-5-3-6-19;1-3-34-22-15-16-23-24(17-22)30(21-9-6-10-21)25(26(23)35(32,33)4-2)18-11-13-20(14-12-18)29-27(31)28-19-7-5-8-19/h8-11,14-15,20,22,24-26H,2-7,12-13,16-19H2,1H3,(H2,34,35,39);7-10,13-14,19,21-22,24-25H,1-6,11-12,15-18H2,(H,33,37)(H2,34,35,38);9-14,19,21,23-24H,2-8,15-18H2,1H3,(H2,31,32,34);8-13,18,21,23-24H,2-7,14-17H2,1H3,(H2,31,32,35);9-12,15-17,19-20,22H,2-8,13-14H2,1H3,(H,30,34)(H2,31,32,35);11-17,19,21H,3-10H2,1-2H3,(H2,28,29,31)
InChIKeyKOQIHGATOZOXIN-UHFFFAOYSA-N
MW3134.98 g/mol
LogP37.08
Rot. Bonds47

About 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea

1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea (PubChem CID 159195762) has the molecular formula C181H217N21O24S2 and a molecular weight of 3134.98 g/mol. Its IUPAC name is 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
PubChem CID159195762
Molecular FormulaC181H217N21O24S2
Molecular Weight3134.98 g/mol
Exact Mass3132.58
IUPAC Name1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
SMILESCC(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.CCOc1ccc2c(C(=O)NC3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(S(=O)(=O)CC)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCS(=O)(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.CN(C(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12)C1CC1.O=C(Nc1ccc(-c2c(C(=O)NC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
InChIInChI=1S/C33H40N4O4.C32H38N4O4.C30H37N3O5S.C30H35N3O4.C29H34N4O3.C27H33N3O4S/c1-36(24-12-13-24)32(38)30-28-15-14-27(41-26-16-18-40-19-17-26)20-29(28)37(25-6-3-7-25)31(30)21-8-10-23(11-9-21)35-33(39)34-22-4-2-5-22;37-31(33-22-11-12-22)29-27-14-13-26(40-25-15-17-39-18-16-25)19-28(27)36(24-5-2-6-24)30(29)20-7-9-23(10-8-20)35-32(38)34-21-3-1-4-21;1-2-39(35,36)29-26-14-13-25(38-24-15-17-37-18-16-24)19-27(26)33(23-7-4-8-23)28(29)20-9-11-22(12-10-20)32-30(34)31-21-5-3-6-21;1-19(34)28-26-13-12-25(37-24-14-16-36-17-15-24)18-27(26)33(23-6-3-7-23)29(28)20-8-10-22(11-9-20)32-30(35)31-21-4-2-5-21;1-2-36-23-15-16-24-25(17-23)33(22-7-4-8-22)27(26(24)28(34)30-20-13-14-20)18-9-11-21(12-10-18)32-29(35)31-19-5-3-6-19;1-3-34-22-15-16-23-24(17-22)30(21-9-6-10-21)25(26(23)35(32,33)4-2)18-11-13-20(14-12-18)29-27(31)28-19-7-5-8-19/h8-11,14-15,20,22,24-26H,2-7,12-13,16-19H2,1H3,(H2,34,35,39);7-10,13-14,19,21-22,24-25H,1-6,11-12,15-18H2,(H,33,37)(H2,34,35,38);9-14,19,21,23-24H,2-8,15-18H2,1H3,(H2,31,32,34);8-13,18,21,23-24H,2-7,14-17H2,1H3,(H2,31,32,35);9-12,15-17,19-20,22H,2-8,13-14H2,1H3,(H,30,34)(H2,31,32,35);11-17,19,21H,3-10H2,1-2H3,(H2,28,29,31)
InChIKeyKOQIHGATOZOXIN-UHFFFAOYSA-N
XLogP37.08
TPSA532.52 Ų
H-Bond Donors14
H-Bond Acceptors30
Rotatable Bonds47
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003134.98
LogP ≤ 537.08
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1030

Analyze 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]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

1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
CID 59425514
1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindole-3-carboxylic acid;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]urea
CID 159505397
1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(cyclopropylcarbamoyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
CID 59426136
1-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
CID 59425421
1-cyclobutyl-3-[4-[1-cyclobutyl-3-(ethoxyiminomethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
CID 59606464
1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
CID 71177339
1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-2-yl)phenyl]urea
CID 59425780
N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
CID 162126888
ethanimidoyl 1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindole-3-carboximidate
CID 91436088
1-[4-(3-cyano-1-cyclopropyl-6-ethoxyindol-2-yl)phenyl]-3-(oxan-4-yl)urea
CID 59426368
1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
CID 70844229
1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]urea
CID 59425082

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea?
The IUPAC name of 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea (CID 159195762) is 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea.
What is the SMILES notation for 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea?
The canonical SMILES for 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea is CC(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.CCOc1ccc2c(C(=O)NC3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(S(=O)(=O)CC)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCS(=O)(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.CN(C(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12)C1CC1.O=C(Nc1ccc(-c2c(C(=O)NC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.
What is the InChIKey of 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea?
The InChIKey is KOQIHGATOZOXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O4.C32H38N4O4.C30H37N3O5S.C30H35N3O4.C29H34N4O3.C27H33N3O4S/c1-36(24-12-13-24)32(38)30-28-15-14-27(41-26-16-18-40-19-17-26)20-29(28)37(25-6-3-7-25)31(30)21-8-10-23(11-9-21)35-33(39)34-22-4-2-5-22;37-31(33-22-11-12-22)29-27-14-13-26(40-25-15-17-39-18-16-25)19-28(27)36(24-5-2-6-24)30(29)20-7-9-23(10-8-20)35-32(38)34-21-3-1-4-21;1-2-39(35,36)29-26-14-13-25(38-24-15-17-37-18-16-24)19-27(26)33(23-7-4-8-23)28(29)20-9-11-22(12-10-20)32-30(34)31-21-5-3-6-21;1-19(34)28-26-13-12-25(37-24-14-16-36-17-15-24)18-27(26)33(23-6-3-7-23)29(28)20-8-10-22(11-9-20)32-30(35)31-21-4-2-5-21;1-2-36-23-15-16-24-25(17-23)33(22-7-4-8-22)27(26(24)28(34)30-20-13-14-20)18-9-11-21(12-10-18)32-29(35)31-19-5-3-6-19;1-3-34-22-15-16-23-24(17-22)30(21-9-6-10-21)25(26(23)35(32,33)4-2)18-11-13-20(14-12-18)29-27(31)28-19-7-5-8-19/h8-11,14-15,20,22,24-26H,2-7,12-13,16-19H2,1H3,(H2,34,35,39);7-10,13-14,19,21-22,24-25H,1-6,11-12,15-18H2,(H,33,37)(H2,34,35,38);9-14,19,21,23-24H,2-8,15-18H2,1H3,(H2,31,32,34);8-13,18,21,23-24H,2-7,14-17H2,1H3,(H2,31,32,35);9-12,15-17,19-20,22H,2-8,13-14H2,1H3,(H,30,34)(H2,31,32,35);11-17,19,21H,3-10H2,1-2H3,(H2,28,29,31).
What are the key properties of 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea?
1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea has a molecular weight of 3134.98 g/mol, XLogP of 37.08, 47 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-acetyl-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-ethylsulfonylindol-2-yl)phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-ethylsulfonyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea is sourced from PubChem (CID 159195762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).