[1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate

C20H19Cl2N3O3 — CID 139906261

IUPAC[1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)CNc1c(C(=O)c2cc(Cl)ccn2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H19Cl2N3O3/c1-11(26)28-20(2,3)10-24-17-14-5-4-12(21)8-15(14)25-18(17)19(27)16-9-13(22)6-7-23-16/h4-9,24-25H,10H2,1-3H3
InChIKeyZMHFQOPVHFQAMS-UHFFFAOYSA-N
MW420.30 g/mol
LogP4.85
Rot. Bonds6

About [1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate

[1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate (PubChem CID 139906261) has the molecular formula C20H19Cl2N3O3 and a molecular weight of 420.30 g/mol. Its IUPAC name is [1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate.

Molecular Properties

Compound Name[1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate
PubChem CID139906261
Molecular FormulaC20H19Cl2N3O3
Molecular Weight420.30 g/mol
Exact Mass419.08
IUPAC Name[1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)CNc1c(C(=O)c2cc(Cl)ccn2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H19Cl2N3O3/c1-11(26)28-20(2,3)10-24-17-14-5-4-12(21)8-15(14)25-18(17)19(27)16-9-13(22)6-7-23-16/h4-9,24-25H,10H2,1-3H3
InChIKeyZMHFQOPVHFQAMS-UHFFFAOYSA-N
XLogP4.85
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate with MolForge

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Related Compounds

N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide
CID 18368040
(4-chloro-2-pyridinyl)-[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]methanone
CID 15462764
2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542250
[5-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl] acetate
CID 70285355
2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
CID 18542262
2-[6-chloro-2-[4-(hydroxymethyl)pyridine-2-carbonyl]-1H-indol-3-yl]acetate
CID 18542242
N-[6-chloro-2-(3-chlorobenzoyl)-1H-indol-3-yl]acetamide
CID 18367912
N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide
CID 18367767
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide
CID 18368229
methyl 2-[5-chloro-2-[4-(hydroxymethyl)pyridine-2-carbonyl]-1H-indol-3-yl]acetate
CID 23003296
[3-(5-bromopentylamino)-6-chloro-1H-indol-2-yl]-phenylmethanone
CID 57250038
N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide
CID 18368034

Frequently Asked Questions

What is the IUPAC name of [1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate?
The IUPAC name of [1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate (CID 139906261) is [1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate.
What is the SMILES notation for [1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate?
The canonical SMILES for [1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate is CC(=O)OC(C)(C)CNc1c(C(=O)c2cc(Cl)ccn2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of [1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate?
The InChIKey is ZMHFQOPVHFQAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3/c1-11(26)28-20(2,3)10-24-17-14-5-4-12(21)8-15(14)25-18(17)19(27)16-9-13(22)6-7-23-16/h4-9,24-25H,10H2,1-3H3.
What are the key properties of [1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate?
[1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate has a molecular weight of 420.30 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]amino]-2-methylpropan-2-yl] acetate is sourced from PubChem (CID 139906261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).