2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one

C16H16ClN3O — CID 170570589

IUPAC2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCC(C)n1ccc2cc(-c3ccc(N)c(Cl)c3)[nH]c2c1=O
InChIInChI=1S/C16H16ClN3O/c1-9(2)20-6-5-11-8-14(19-15(11)16(20)21)10-3-4-13(18)12(17)7-10/h3-9,19H,18H2,1-2H3
InChIKeyGHXRVLWGZXZJOB-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.81
Rot. Bonds2

About 2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one

2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 170570589) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID170570589
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCC(C)n1ccc2cc(-c3ccc(N)c(Cl)c3)[nH]c2c1=O
InChIInChI=1S/C16H16ClN3O/c1-9(2)20-6-5-11-8-14(19-15(11)16(20)21)10-3-4-13(18)12(17)7-10/h3-9,19H,18H2,1-2H3
InChIKeyGHXRVLWGZXZJOB-UHFFFAOYSA-N
XLogP3.81
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 170570589) is 2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one is CC(C)n1ccc2cc(-c3ccc(N)c(Cl)c3)[nH]c2c1=O.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is GHXRVLWGZXZJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-9(2)20-6-5-11-8-14(19-15(11)16(20)21)10-3-4-13(18)12(17)7-10/h3-9,19H,18H2,1-2H3.
What are the key properties of 2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one?
2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 301.78 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 170570589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).