3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid

C28H35N5O3 — CID 11465980

IUPAC3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid
SMILESCN(C)C1CCN(C(=O)Cn2c(-c3cncnc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1
InChIInChI=1S/C28H35N5O3/c1-31(2)22-10-12-32(13-11-22)25(34)17-33-24-14-20(28(35)36)8-9-23(24)26(19-6-4-3-5-7-19)27(33)21-15-29-18-30-16-21/h8-9,14-16,18-19,22H,3-7,10-13,17H2,1-2H3,(H,35,36)
InChIKeyZSXNZAISYUFODI-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.40
Rot. Bonds6

About 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid

3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid (PubChem CID 11465980) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid
PubChem CID11465980
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid
SMILESCN(C)C1CCN(C(=O)Cn2c(-c3cncnc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1
InChIInChI=1S/C28H35N5O3/c1-31(2)22-10-12-32(13-11-22)25(34)17-33-24-14-20(28(35)36)8-9-23(24)26(19-6-4-3-5-7-19)27(33)21-15-29-18-30-16-21/h8-9,14-16,18-19,22H,3-7,10-13,17H2,1-2H3,(H,35,36)
InChIKeyZSXNZAISYUFODI-UHFFFAOYSA-N
XLogP4.40
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperazine, 1-((6-(hydroxymethyl)-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 454734
3-(Cyclopropylamino)-5-phenylpyrimido[4,5-c]quinoline-8-carboxylic acid
CID 25222170
3-Methyl-4-[4-[8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1-pyrimidin-4-yl-1,3,8-triazaspiro[4.5]decan-3-yl]phenyl]benzoic acid
CID 49847377
3-Methyl-4-[4-[8-[(3-methyl-2-pyridinyl)methyl]-1-(2-methylpyrimidin-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]phenyl]benzoic acid
CID 49847378
4-[4-[8-[(3-Methyl-2-pyridinyl)methyl]-2,4-dioxo-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decan-3-yl]phenyl]benzoic acid
CID 49848258
4-[4-[8-[(3-Methyl-2-pyridinyl)methyl]-2,4-dioxo-1-pyrimidin-4-yl-1,3,8-triazaspiro[4.5]decan-3-yl]phenyl]benzoic acid
CID 49849002
3-Methyl-4-[4-[8-[(3-methyl-2-pyridinyl)methyl]-1-(6-methylpyrimidin-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]phenyl]benzoic acid
CID 49849120
3-Methyl-4-[4-[8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decan-3-yl]phenyl]benzoic acid
CID 57387541
[2-({4-[[3-(Isopropylamino)pyridin-2-yl](methyl)amino]piperidin-1-yl}carbonyl)-1H-indol-6-yl]methanol
CID 462957
3-Methyl-4-[5-[8-[(3-methyl-2-pyridinyl)methyl]-2,4-dioxo-1-pyrimidin-4-yl-1,3,8-triazaspiro[4.5]decan-3-yl]-2-pyridinyl]benzoic acid
CID 57387776
3-Cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carboxylic acid
CID 514262
3-Cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-2-phenyl-indole-6-carboxylic acid
CID 6480891

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid (CID 11465980) is 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid is CN(C)C1CCN(C(=O)Cn2c(-c3cncnc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1.
What is the InChIKey of 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid?
The InChIKey is ZSXNZAISYUFODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-31(2)22-10-12-32(13-11-22)25(34)17-33-24-14-20(28(35)36)8-9-23(24)26(19-6-4-3-5-7-19)27(33)21-15-29-18-30-16-21/h8-9,14-16,18-19,22H,3-7,10-13,17H2,1-2H3,(H,35,36).
What are the key properties of 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid?
3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid has a molecular weight of 489.62 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-pyrimidin-5-ylindole-6-carboxylic acid is sourced from PubChem (CID 11465980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).