1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate

C144H146N30O15 — CID 157386660

IUPAC1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncn[nH]4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2C2CC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncncn4)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C31H33N5O3.C30H32N6O3.C28H29N7O3.C28H26N6O3.C27H26N6O3/c1-21(22-7-8-22)39-31(37)34-24-11-9-23(10-12-24)30-28(20-32)27-14-13-26(19-29(27)36(30)25-5-2-6-25)38-18-4-17-35-16-3-15-33-35;1-19(20-7-8-20)39-30(37)34-22-11-9-21(10-12-22)29-26(17-31)25-14-13-24(16-27(25)36(29)23-4-2-5-23)38-15-3-6-28-32-18-33-35-28;1-18(19-5-6-19)38-28(36)32-21-9-7-20(8-10-21)27-25(16-29)24-12-11-23(37-14-13-34-31-17-30-33-34)15-26(24)35(27)22-3-2-4-22;1-17(18-5-6-18)36-28(35)33-20-9-7-19(8-10-20)26-24(14-29)23-12-11-22(37-27-31-15-30-16-32-27)13-25(23)34(26)21-3-2-4-21;1-16(17-2-3-17)36-27(34)31-19-6-4-18(5-7-19)26-23(13-28)22-11-10-21(35-14-25-29-15-30-32-25)12-24(22)33(26)20-8-9-20/h3,9-16,19,21-22,25H,2,4-8,17-18H2,1H3,(H,34,37);9-14,16,18-20,23H,2-8,15H2,1H3,(H,34,37)(H,32,33,35);7-12,15,17-19,22H,2-6,13-14H2,1H3,(H,32,36);7-13,15-18,21H,2-6H2,1H3,(H,33,35);4-7,10-12,15-17,20H,2-3,8-9,14H2,1H3,(H,31,34)(H,29,30,32)
InChIKeyBLNBRRIIRORRHO-UHFFFAOYSA-N
MW2536.95 g/mol
LogP30.41
Rot. Bonds44

About 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate

1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 157386660) has the molecular formula C144H146N30O15 and a molecular weight of 2536.95 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate
PubChem CID157386660
Molecular FormulaC144H146N30O15
Molecular Weight2536.95 g/mol
Exact Mass2535.16
IUPAC Name1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncn[nH]4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2C2CC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncncn4)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C31H33N5O3.C30H32N6O3.C28H29N7O3.C28H26N6O3.C27H26N6O3/c1-21(22-7-8-22)39-31(37)34-24-11-9-23(10-12-24)30-28(20-32)27-14-13-26(19-29(27)36(30)25-5-2-6-25)38-18-4-17-35-16-3-15-33-35;1-19(20-7-8-20)39-30(37)34-22-11-9-21(10-12-22)29-26(17-31)25-14-13-24(16-27(25)36(29)23-4-2-5-23)38-15-3-6-28-32-18-33-35-28;1-18(19-5-6-19)38-28(36)32-21-9-7-20(8-10-21)27-25(16-29)24-12-11-23(37-14-13-34-31-17-30-33-34)15-26(24)35(27)22-3-2-4-22;1-17(18-5-6-18)36-28(35)33-20-9-7-19(8-10-20)26-24(14-29)23-12-11-22(37-27-31-15-30-16-32-27)13-25(23)34(26)21-3-2-4-21;1-16(17-2-3-17)36-27(34)31-19-6-4-18(5-7-19)26-23(13-28)22-11-10-21(35-14-25-29-15-30-32-25)12-24(22)33(26)20-8-9-20/h3,9-16,19,21-22,25H,2,4-8,17-18H2,1H3,(H,34,37);9-14,16,18-20,23H,2-8,15H2,1H3,(H,34,37)(H,32,33,35);7-12,15,17-19,22H,2-6,13-14H2,1H3,(H,32,36);7-13,15-18,21H,2-6H2,1H3,(H,33,35);4-7,10-12,15-17,20H,2-3,8-9,14H2,1H3,(H,31,34)(H,29,30,32)
InChIKeyBLNBRRIIRORRHO-UHFFFAOYSA-N
XLogP30.41
TPSA564.63 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds44
Heavy Atoms189
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002536.95
LogP ≤ 530.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate (CID 157386660) is 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncn[nH]4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2C2CC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncncn4)cc3n2C2CCC2)cc1)C1CC1.
What is the InChIKey of 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is BLNBRRIIRORRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O3.C30H32N6O3.C28H29N7O3.C28H26N6O3.C27H26N6O3/c1-21(22-7-8-22)39-31(37)34-24-11-9-23(10-12-24)30-28(20-32)27-14-13-26(19-29(27)36(30)25-5-2-6-25)38-18-4-17-35-16-3-15-33-35;1-19(20-7-8-20)39-30(37)34-22-11-9-21(10-12-22)29-26(17-31)25-14-13-24(16-27(25)36(29)23-4-2-5-23)38-15-3-6-28-32-18-33-35-28;1-18(19-5-6-19)38-28(36)32-21-9-7-20(8-10-21)27-25(16-29)24-12-11-23(37-14-13-34-31-17-30-33-34)15-26(24)35(27)22-3-2-4-22;1-17(18-5-6-18)36-28(35)33-20-9-7-19(8-10-20)26-24(14-29)23-12-11-22(37-27-31-15-30-16-32-27)13-25(23)34(26)21-3-2-4-21;1-16(17-2-3-17)36-27(34)31-19-6-4-18(5-7-19)26-23(13-28)22-11-10-21(35-14-25-29-15-30-32-25)12-24(22)33(26)20-8-9-20/h3,9-16,19,21-22,25H,2,4-8,17-18H2,1H3,(H,34,37);9-14,16,18-20,23H,2-8,15H2,1H3,(H,34,37)(H,32,33,35);7-12,15,17-19,22H,2-6,13-14H2,1H3,(H,32,36);7-13,15-18,21H,2-6H2,1H3,(H,33,35);4-7,10-12,15-17,20H,2-3,8-9,14H2,1H3,(H,31,34)(H,29,30,32).
What are the key properties of 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate?
1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 2536.95 g/mol, XLogP of 30.41, 44 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157386660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).