N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline

C18H17N5 — CID 10040667

IUPACN,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
InChIInChI=1S/C18H17N5/c1-23(2)15-5-3-12(4-6-15)13-7-16-17(14-9-21-22-10-14)11-20-18(16)19-8-13/h3-11H,1-2H3,(H,19,20)(H,21,22)
InChIKeyIPPNJZWFNCNYSG-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.69
Rot. Bonds3

About N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline

N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline (PubChem CID 10040667) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
PubChem CID10040667
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC NameN,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
SMILESCN(C)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
InChIInChI=1S/C18H17N5/c1-23(2)15-5-3-12(4-6-15)13-7-16-17(14-9-21-22-10-14)11-20-18(16)19-8-13/h3-11H,1-2H3,(H,19,20)(H,21,22)
InChIKeyIPPNJZWFNCNYSG-UHFFFAOYSA-N
XLogP3.69
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline (CID 10040667) is N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline is CN(C)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline?
The InChIKey is IPPNJZWFNCNYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-23(2)15-5-3-12(4-6-15)13-7-16-17(14-9-21-22-10-14)11-20-18(16)19-8-13/h3-11H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline?
N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline has a molecular weight of 303.37 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline is sourced from PubChem (CID 10040667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).