1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile

C30H24F2N4OS — CID 59425070

IUPAC1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Nc3nc(-c4ccc(F)cc4)cs3)cc2)n(C2CCC2)c2cc(OCCF)ccc12
InChIInChI=1S/C30H24F2N4OS/c31-14-15-37-24-12-13-25-26(17-33)29(36(28(25)16-24)23-2-1-3-23)20-6-10-22(11-7-20)34-30-35-27(18-38-30)19-4-8-21(32)9-5-19/h4-13,16,18,23H,1-3,14-15H2,(H,34,35)
InChIKeyAZUCOVSBYYUGTP-UHFFFAOYSA-N
MW526.61 g/mol
LogP8.26
Rot. Bonds8

About 1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile

1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile (PubChem CID 59425070) has the molecular formula C30H24F2N4OS and a molecular weight of 526.61 g/mol. Its IUPAC name is 1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile
PubChem CID59425070
Molecular FormulaC30H24F2N4OS
Molecular Weight526.61 g/mol
Exact Mass526.16
IUPAC Name1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Nc3nc(-c4ccc(F)cc4)cs3)cc2)n(C2CCC2)c2cc(OCCF)ccc12
InChIInChI=1S/C30H24F2N4OS/c31-14-15-37-24-12-13-25-26(17-33)29(36(28(25)16-24)23-2-1-3-23)20-6-10-22(11-7-20)34-30-35-27(18-38-30)19-4-8-21(32)9-5-19/h4-13,16,18,23H,1-3,14-15H2,(H,34,35)
InChIKeyAZUCOVSBYYUGTP-UHFFFAOYSA-N
XLogP8.26
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.61
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile?
The IUPAC name of 1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile (CID 59425070) is 1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile.
What is the SMILES notation for 1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile?
The canonical SMILES for 1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile is N#Cc1c(-c2ccc(Nc3nc(-c4ccc(F)cc4)cs3)cc2)n(C2CCC2)c2cc(OCCF)ccc12.
What is the InChIKey of 1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile?
The InChIKey is AZUCOVSBYYUGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2N4OS/c31-14-15-37-24-12-13-25-26(17-33)29(36(28(25)16-24)23-2-1-3-23)20-6-10-22(11-7-20)34-30-35-27(18-38-30)19-4-8-21(32)9-5-19/h4-13,16,18,23H,1-3,14-15H2,(H,34,35).
What are the key properties of 1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile?
1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile has a molecular weight of 526.61 g/mol, XLogP of 8.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile is sourced from PubChem (CID 59425070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).