3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile

C18H13ClN6 — CID 139030491

IUPAC3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1-c1ccc2c(Cl)cn(Cc3cccnc3)c2c1
InChIInChI=1S/C18H13ClN6/c19-15-10-25(9-11-2-1-5-22-8-11)16-6-12(3-4-13(15)16)17-14(7-20)18(21)24-23-17/h1-6,8,10H,9H2,(H3,21,23,24)
InChIKeyAJLPROLDTQRMOM-UHFFFAOYSA-N
MW348.80 g/mol
LogP3.58
Rot. Bonds3

About 3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile

3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile (PubChem CID 139030491) has the molecular formula C18H13ClN6 and a molecular weight of 348.80 g/mol. Its IUPAC name is 3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile
PubChem CID139030491
Molecular FormulaC18H13ClN6
Molecular Weight348.80 g/mol
Exact Mass348.09
IUPAC Name3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1-c1ccc2c(Cl)cn(Cc3cccnc3)c2c1
InChIInChI=1S/C18H13ClN6/c19-15-10-25(9-11-2-1-5-22-8-11)16-6-12(3-4-13(15)16)17-14(7-20)18(21)24-23-17/h1-6,8,10H,9H2,(H3,21,23,24)
InChIKeyAJLPROLDTQRMOM-UHFFFAOYSA-N
XLogP3.58
TPSA96.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile 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 3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile (CID 139030491) is 3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile is N#Cc1c(N)n[nH]c1-c1ccc2c(Cl)cn(Cc3cccnc3)c2c1.
What is the InChIKey of 3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile?
The InChIKey is AJLPROLDTQRMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6/c19-15-10-25(9-11-2-1-5-22-8-11)16-6-12(3-4-13(15)16)17-14(7-20)18(21)24-23-17/h1-6,8,10H,9H2,(H3,21,23,24).
What are the key properties of 3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile?
3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile has a molecular weight of 348.80 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-chloro-1-(pyridin-3-ylmethyl)indol-6-yl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 139030491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).