2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide

C20H20Cl2N4O2 — CID 144978827

IUPAC2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1ccc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)c(C)c21
InChIInChI=1S/C20H20Cl2N4O2/c1-3-24-15(27)9-26-6-4-12-17(25-20(23)10(2)18(12)26)16-11-5-7-28-19(11)14(22)8-13(16)21/h4,6,8H,3,5,7,9H2,1-2H3,(H2,23,25)(H,24,27)
InChIKeyRAPBRQHPZWQCLM-UHFFFAOYSA-N
MW419.31 g/mol
LogP3.97
Rot. Bonds4

About 2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide

2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide (PubChem CID 144978827) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is 2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide
PubChem CID144978827
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1ccc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)c(C)c21
InChIInChI=1S/C20H20Cl2N4O2/c1-3-24-15(27)9-26-6-4-12-17(25-20(23)10(2)18(12)26)16-11-5-7-28-19(11)14(22)8-13(16)21/h4,6,8H,3,5,7,9H2,1-2H3,(H2,23,25)(H,24,27)
InChIKeyRAPBRQHPZWQCLM-UHFFFAOYSA-N
XLogP3.97
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-cyclobutyl-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 59275964
2-amino-N-(cyclobutadienyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 67027331
4-(2,4-dichloro-5-propan-2-yloxyphenyl)-N,N-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2-carboximidamide
CID 69167675
N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 69167676
N'-[4-(2,4-dichloro-5-propan-2-yloxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 89272526
4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 102514681
4-(5,7-Dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-d]pyrimidin-2-amine
CID 118576632
Methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate
CID 118576671
1-[2-Amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone
CID 118587688
4-(5,7-Dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine
CID 118587697
4-(5,7-Dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
CID 118587848
2-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]-N-ethylacetamide
CID 118587853

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide (CID 144978827) is 2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide is CCNC(=O)Cn1ccc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)c(C)c21.
What is the InChIKey of 2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide?
The InChIKey is RAPBRQHPZWQCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c1-3-24-15(27)9-26-6-4-12-17(25-20(23)10(2)18(12)26)16-11-5-7-28-19(11)14(22)8-13(16)21/h4,6,8H,3,5,7,9H2,1-2H3,(H2,23,25)(H,24,27).
What are the key properties of 2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide?
2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide has a molecular weight of 419.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methylpyrrolo[3,2-c]pyridin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 144978827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).