1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate

C183H181F12N29O19 — CID 158378689

IUPAC1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4OCCO4)cc3n2C2CCC2)cc1)C(F)(F)F.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4ccnc4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4cncn4)cc3n2C2CCC2)cc1)C(F)(F)F.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4cncn4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CCOc1ccc2c(F)c(-c3ccc(NC(=O)NC(C)C)cc3)n(CC3CC3)c2c1.N#Cc1c(-c2ccc(NC(=O)OC(c3ccccc3)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCCCCn3cncn3)ccc12
InChIInChI=1S/C35H34FN5O3.C34H31F3N6O3.C34H33FN6O3.C29H29F3N6O3.C27H26F3N3O5.C24H28FN3O2/c1-24(25-7-11-27(36)12-8-25)44-35(42)39-28-13-9-26(10-14-28)34-32(22-37)31-16-15-30(21-33(31)41(34)29-5-4-6-29)43-20-3-2-18-40-19-17-38-23-40;35-34(36,37)32(24-7-2-1-3-8-24)46-33(44)41-25-13-11-23(12-14-25)31-29(20-38)28-16-15-27(19-30(28)43(31)26-9-6-10-26)45-18-5-4-17-42-22-39-21-40-42;1-23(24-7-11-26(35)12-8-24)44-34(42)39-27-13-9-25(10-14-27)33-31(20-36)30-16-15-29(19-32(30)41(33)28-5-4-6-28)43-18-3-2-17-40-22-37-21-38-40;1-19(29(30,31)32)41-28(39)36-21-9-7-20(8-10-21)27-25(16-33)24-12-11-23(15-26(24)38(27)22-5-4-6-22)40-14-3-2-13-37-18-34-17-35-37;1-16(27(28,29)30)38-26(34)32-18-7-5-17(6-8-18)25-22(14-31)21-10-9-20(37-15-24-35-11-12-36-24)13-23(21)33(25)19-3-2-4-19;1-4-30-19-11-12-20-21(13-19)28(14-16-5-6-16)23(22(20)25)17-7-9-18(10-8-17)27-24(29)26-15(2)3/h7-17,19,21,23-24,29H,2-6,18,20H2,1H3,(H,39,42);1-3,7-8,11-16,19,21-22,26,32H,4-6,9-10,17-18H2,(H,41,44);7-16,19,21-23,28H,2-6,17-18H2,1H3,(H,39,42);7-12,15,17-19,22H,2-6,13-14H2,1H3,(H,36,39);5-10,13,16,19,24H,2-4,11-12,15H2,1H3,(H,32,34);7-13,15-16H,4-6,14H2,1-3H3,(H2,26,27,29)
InChIKeyGVNCUDWLRXQLLD-UHFFFAOYSA-N
MW3318.62 g/mol
LogP43.22
Rot. Bonds57

About 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate

1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate (PubChem CID 158378689) has the molecular formula C183H181F12N29O19 and a molecular weight of 3318.62 g/mol. Its IUPAC name is 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate
PubChem CID158378689
Molecular FormulaC183H181F12N29O19
Molecular Weight3318.62 g/mol
Exact Mass3316.39
IUPAC Name1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4OCCO4)cc3n2C2CCC2)cc1)C(F)(F)F.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4ccnc4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4cncn4)cc3n2C2CCC2)cc1)C(F)(F)F.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4cncn4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CCOc1ccc2c(F)c(-c3ccc(NC(=O)NC(C)C)cc3)n(CC3CC3)c2c1.N#Cc1c(-c2ccc(NC(=O)OC(c3ccccc3)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCCCCn3cncn3)ccc12
InChIInChI=1S/C35H34FN5O3.C34H31F3N6O3.C34H33FN6O3.C29H29F3N6O3.C27H26F3N3O5.C24H28FN3O2/c1-24(25-7-11-27(36)12-8-25)44-35(42)39-28-13-9-26(10-14-28)34-32(22-37)31-16-15-30(21-33(31)41(34)29-5-4-6-29)43-20-3-2-18-40-19-17-38-23-40;35-34(36,37)32(24-7-2-1-3-8-24)46-33(44)41-25-13-11-23(12-14-25)31-29(20-38)28-16-15-27(19-30(28)43(31)26-9-6-10-26)45-18-5-4-17-42-22-39-21-40-42;1-23(24-7-11-26(35)12-8-24)44-34(42)39-27-13-9-25(10-14-27)33-31(20-36)30-16-15-29(19-32(30)41(33)28-5-4-6-28)43-18-3-2-17-40-22-37-21-38-40;1-19(29(30,31)32)41-28(39)36-21-9-7-20(8-10-21)27-25(16-33)24-12-11-23(15-26(24)38(27)22-5-4-6-22)40-14-3-2-13-37-18-34-17-35-37;1-16(27(28,29)30)38-26(34)32-18-7-5-17(6-8-18)25-22(14-31)21-10-9-20(37-15-24-35-11-12-36-24)13-23(21)33(25)19-3-2-4-19;1-4-30-19-11-12-20-21(13-19)28(14-16-5-6-16)23(22(20)25)17-7-9-18(10-8-17)27-24(29)26-15(2)3/h7-17,19,21,23-24,29H,2-6,18,20H2,1H3,(H,39,42);1-3,7-8,11-16,19,21-22,26,32H,4-6,9-10,17-18H2,(H,41,44);7-16,19,21-23,28H,2-6,17-18H2,1H3,(H,39,42);7-12,15,17-19,22H,2-6,13-14H2,1H3,(H,36,39);5-10,13,16,19,24H,2-4,11-12,15H2,1H3,(H,32,34);7-13,15-16H,4-6,14H2,1-3H3,(H2,26,27,29)
InChIKeyGVNCUDWLRXQLLD-UHFFFAOYSA-N
XLogP43.22
TPSA565.10 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds57
Heavy Atoms243
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003318.62
LogP ≤ 543.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate (CID 158378689) is 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4OCCO4)cc3n2C2CCC2)cc1)C(F)(F)F.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4ccnc4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4cncn4)cc3n2C2CCC2)cc1)C(F)(F)F.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4cncn4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CCOc1ccc2c(F)c(-c3ccc(NC(=O)NC(C)C)cc3)n(CC3CC3)c2c1.N#Cc1c(-c2ccc(NC(=O)OC(c3ccccc3)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCCCCn3cncn3)ccc12.
What is the InChIKey of 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate?
The InChIKey is GVNCUDWLRXQLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN5O3.C34H31F3N6O3.C34H33FN6O3.C29H29F3N6O3.C27H26F3N3O5.C24H28FN3O2/c1-24(25-7-11-27(36)12-8-25)44-35(42)39-28-13-9-26(10-14-28)34-32(22-37)31-16-15-30(21-33(31)41(34)29-5-4-6-29)43-20-3-2-18-40-19-17-38-23-40;35-34(36,37)32(24-7-2-1-3-8-24)46-33(44)41-25-13-11-23(12-14-25)31-29(20-38)28-16-15-27(19-30(28)43(31)26-9-6-10-26)45-18-5-4-17-42-22-39-21-40-42;1-23(24-7-11-26(35)12-8-24)44-34(42)39-27-13-9-25(10-14-27)33-31(20-36)30-16-15-29(19-32(30)41(33)28-5-4-6-28)43-18-3-2-17-40-22-37-21-38-40;1-19(29(30,31)32)41-28(39)36-21-9-7-20(8-10-21)27-25(16-33)24-12-11-23(15-26(24)38(27)22-5-4-6-22)40-14-3-2-13-37-18-34-17-35-37;1-16(27(28,29)30)38-26(34)32-18-7-5-17(6-8-18)25-22(14-31)21-10-9-20(37-15-24-35-11-12-36-24)13-23(21)33(25)19-3-2-4-19;1-4-30-19-11-12-20-21(13-19)28(14-16-5-6-16)23(22(20)25)17-7-9-18(10-8-17)27-24(29)26-15(2)3/h7-17,19,21,23-24,29H,2-6,18,20H2,1H3,(H,39,42);1-3,7-8,11-16,19,21-22,26,32H,4-6,9-10,17-18H2,(H,41,44);7-16,19,21-23,28H,2-6,17-18H2,1H3,(H,39,42);7-12,15,17-19,22H,2-6,13-14H2,1H3,(H,36,39);5-10,13,16,19,24H,2-4,11-12,15H2,1H3,(H,32,34);7-13,15-16H,4-6,14H2,1-3H3,(H2,26,27,29).
What are the key properties of 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate?
1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 3318.62 g/mol, XLogP of 43.22, 57 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158378689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).