methyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate

C25H28Cl2N4O3 — CID 145203500

IUPACmethyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)c2ncc(Cl)c(Cc3cc4c(C)cc(N)cc4n3C)c2Cl)CC1
InChIInChI=1S/C25H28Cl2N4O3/c1-14-8-16(28)10-21-18(14)11-17(30(21)2)12-19-20(26)13-29-24(23(19)27)25(33)31-6-4-15(5-7-31)9-22(32)34-3/h8,10-11,13,15H,4-7,9,12,28H2,1-3H3
InChIKeyMKLCVMPBGBDVSK-UHFFFAOYSA-N
MW503.43 g/mol
LogP4.78
Rot. Bonds5

About methyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate

methyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate (PubChem CID 145203500) has the molecular formula C25H28Cl2N4O3 and a molecular weight of 503.43 g/mol. Its IUPAC name is methyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate
PubChem CID145203500
Molecular FormulaC25H28Cl2N4O3
Molecular Weight503.43 g/mol
Exact Mass502.15
IUPAC Namemethyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)c2ncc(Cl)c(Cc3cc4c(C)cc(N)cc4n3C)c2Cl)CC1
InChIInChI=1S/C25H28Cl2N4O3/c1-14-8-16(28)10-21-18(14)11-17(30(21)2)12-19-20(26)13-29-24(23(19)27)25(33)31-6-4-15(5-7-31)9-22(32)34-3/h8,10-11,13,15H,4-7,9,12,28H2,1-3H3
InChIKeyMKLCVMPBGBDVSK-UHFFFAOYSA-N
XLogP4.78
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate 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

3,5-dichloro-4-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]pyridine-2-carboxylic acid
CID 145206684
methyl 2-[1-[1-[2,4-dichloro-3-[(5-cyano-1,4-dimethylindol-2-yl)methyl]phenyl]ethenyl]piperidin-4-yl]acetate
CID 145206598
2-[[2,6-dichloro-3-[2-(oxan-4-yl)acetyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile
CID 146950862
1-[2,4-dichloro-3-[[6-(2,2-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]benzoyl]piperidine-4-carboxylic acid
CID 146494076
2-[[2,6-dichloro-3-(morpholine-4-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbaldehyde
CID 146493931
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one
CID 158667689
2-[1-[3,5-dichloro-4-[(6-ethynyl-1,4-dimethyl-1H-inden-2-yl)methyl]pyridine-2-carbonyl]piperidin-4-yl]acetic acid
CID 145206463
1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone
CID 158087129
1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone
CID 161446437
N-[2-[2-[3-[(6-amino-1,4-dimethylindol-2-yl)methyl]-2,4-dichlorophenyl]ethoxy]ethyl]formamide
CID 146493703
methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate
CID 169284591

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate (CID 145203500) is methyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate is COC(=O)CC1CCN(C(=O)c2ncc(Cl)c(Cc3cc4c(C)cc(N)cc4n3C)c2Cl)CC1.
What is the InChIKey of methyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate?
The InChIKey is MKLCVMPBGBDVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O3/c1-14-8-16(28)10-21-18(14)11-17(30(21)2)12-19-20(26)13-29-24(23(19)27)25(33)31-6-4-15(5-7-31)9-22(32)34-3/h8,10-11,13,15H,4-7,9,12,28H2,1-3H3.
What are the key properties of methyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate?
methyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate has a molecular weight of 503.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[4-[(6-amino-1,4-dimethylindol-2-yl)methyl]-3,5-dichloropyridine-2-carbonyl]piperidin-4-yl]acetate is sourced from PubChem (CID 145203500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).