4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile

C24H18F3N3O2 — CID 118414124

IUPAC4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc([C@@H](O)CO)cc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1
InChIInChI=1S/C24H18F3N3O2/c25-24(26,27)19-4-1-15(2-5-19)13-30-8-7-17-9-16(3-6-22(17)30)21-11-18(23(32)14-31)10-20(12-28)29-21/h1-11,23,31-32H,13-14H2/t23-/m0/s1
InChIKeyXLBZRGUWXSQNMP-QHCPKHFHSA-N
MW437.42 g/mol
LogP4.67
Rot. Bonds5

About 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile

4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile (PubChem CID 118414124) has the molecular formula C24H18F3N3O2 and a molecular weight of 437.42 g/mol. Its IUPAC name is 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
PubChem CID118414124
Molecular FormulaC24H18F3N3O2
Molecular Weight437.42 g/mol
Exact Mass437.14
IUPAC Name4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc([C@@H](O)CO)cc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1
InChIInChI=1S/C24H18F3N3O2/c25-24(26,27)19-4-1-15(2-5-19)13-30-8-7-17-9-16(3-6-22(17)30)21-11-18(23(32)14-31)10-20(12-28)29-21/h1-11,23,31-32H,13-14H2/t23-/m0/s1
InChIKeyXLBZRGUWXSQNMP-QHCPKHFHSA-N
XLogP4.67
TPSA82.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile (CID 118414124) is 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile is N#Cc1cc([C@@H](O)CO)cc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1.
What is the InChIKey of 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile?
The InChIKey is XLBZRGUWXSQNMP-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H18F3N3O2/c25-24(26,27)19-4-1-15(2-5-19)13-30-8-7-17-9-16(3-6-22(17)30)21-11-18(23(32)14-31)10-20(12-28)29-21/h1-11,23,31-32H,13-14H2/t23-/m0/s1.
What are the key properties of 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile?
4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile has a molecular weight of 437.42 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1,2-dihydroxyethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 118414124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).