1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine

C21H19ClN4 — CID 86269278

IUPAC1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(-c2ccncc2)n(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C21H19ClN4/c1-25(2)14-19-18-9-12-24-13-20(18)26(17-5-3-16(22)4-6-17)21(19)15-7-10-23-11-8-15/h3-13H,14H2,1-2H3
InChIKeyGONCOLJMAFSBKX-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.80
Rot. Bonds4

About 1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine

1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine (PubChem CID 86269278) has the molecular formula C21H19ClN4 and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine
PubChem CID86269278
Molecular FormulaC21H19ClN4
Molecular Weight362.86 g/mol
Exact Mass362.13
IUPAC Name1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(-c2ccncc2)n(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C21H19ClN4/c1-25(2)14-19-18-9-12-24-13-20(18)26(17-5-3-16(22)4-6-17)21(19)15-7-10-23-11-8-15/h3-13H,14H2,1-2H3
InChIKeyGONCOLJMAFSBKX-UHFFFAOYSA-N
XLogP4.80
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine (CID 86269278) is 1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1c(-c2ccncc2)n(-c2ccc(Cl)cc2)c2cnccc12.
What is the InChIKey of 1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine?
The InChIKey is GONCOLJMAFSBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4/c1-25(2)14-19-18-9-12-24-13-20(18)26(17-5-3-16(22)4-6-17)21(19)15-7-10-23-11-8-15/h3-13H,14H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine?
1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine has a molecular weight of 362.86 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-2-pyridin-4-ylpyrrolo[2,3-c]pyridin-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 86269278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).