2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile

C32H24F3N5O2 — CID 144980086

IUPAC2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile
SMILESCC(O)c1c(C#N)c2ccc(-c3cccc(-c4c(C(C)O)c(C(F)(F)F)c5ccccn45)n3)cn2c1-c1ccccn1
InChIInChI=1S/C32H24F3N5O2/c1-18(41)27-21(16-36)25-13-12-20(17-40(25)30(27)23-8-3-5-14-37-23)22-9-7-10-24(38-22)31-28(19(2)42)29(32(33,34)35)26-11-4-6-15-39(26)31/h3-15,17-19,41-42H,1-2H3
InChIKeyLTUMTXXPSZQCHM-UHFFFAOYSA-N
MW567.57 g/mol
LogP6.98
Rot. Bonds5

About 2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile

2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile (PubChem CID 144980086) has the molecular formula C32H24F3N5O2 and a molecular weight of 567.57 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile
PubChem CID144980086
Molecular FormulaC32H24F3N5O2
Molecular Weight567.57 g/mol
Exact Mass567.19
IUPAC Name2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile
SMILESCC(O)c1c(C#N)c2ccc(-c3cccc(-c4c(C(C)O)c(C(F)(F)F)c5ccccn45)n3)cn2c1-c1ccccn1
InChIInChI=1S/C32H24F3N5O2/c1-18(41)27-21(16-36)25-13-12-20(17-40(25)30(27)23-8-3-5-14-37-23)22-9-7-10-24(38-22)31-28(19(2)42)29(32(33,34)35)26-11-4-6-15-39(26)31/h3-15,17-19,41-42H,1-2H3
InChIKeyLTUMTXXPSZQCHM-UHFFFAOYSA-N
XLogP6.98
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.57
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[Hydroxy(p-tolyl)methyl]-2,3-diphenyl-indolizine-7-carbonitrile
CID 491876
1-(1-Hydroxyethyl)-2,3-diphenyl-indolizine-7-carbonitrile
CID 491916
2,3-Bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile
CID 11293493
7-Cyano-2,3-diphenyl-1-(alpha-hydroxybenzyl)indolizine
CID 482636
7-Indolizinecarbonitrile, 1-(cyclohexylhydroxymethyl)-2,3-diphenyl-
CID 491915
1-[Hydroxy(phenyl)methyl]-2,3-bis(p-tolyl)indolizine-7-carbonitrile
CID 11247392
1-(1-Hydroxypropyl)-2,3-diphenyl-indolizine-7-carbonitrile
CID 16102539
1-(1-Hydroxybutyl)-2,3-diphenyl-indolizine-7-carbonitrile
CID 16102540
1-(1-Hydroxypentyl)-2,3-diphenyl-indolizine-7-carbonitrile
CID 16102541
1-(1-Hydroxy-3-methyl-butyl)-2,3-diphenyl-indolizine-7-carbonitrile
CID 16102542
1-(1-Hydroxy-2,2-dimethyl-propyl)-2,3-diphenyl-indolizine-7-carbonitrile
CID 16102543
1-(1-Hydroxyhexyl)-2,3-diphenyl-indolizine-7-carbonitrile
CID 16102544

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile?
The IUPAC name of 2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile (CID 144980086) is 2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile.
What is the SMILES notation for 2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile?
The canonical SMILES for 2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile is CC(O)c1c(C#N)c2ccc(-c3cccc(-c4c(C(C)O)c(C(F)(F)F)c5ccccn45)n3)cn2c1-c1ccccn1.
What is the InChIKey of 2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile?
The InChIKey is LTUMTXXPSZQCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F3N5O2/c1-18(41)27-21(16-36)25-13-12-20(17-40(25)30(27)23-8-3-5-14-37-23)22-9-7-10-24(38-22)31-28(19(2)42)29(32(33,34)35)26-11-4-6-15-39(26)31/h3-15,17-19,41-42H,1-2H3.
What are the key properties of 2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile?
2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile has a molecular weight of 567.57 g/mol, XLogP of 6.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-6-[6-[2-(1-hydroxyethyl)-1-(trifluoromethyl)indolizin-3-yl]-2-pyridinyl]-3-pyridin-2-ylindolizine-1-carbonitrile is sourced from PubChem (CID 144980086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).