3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile

C14H10N4 — CID 138570011

IUPAC3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc3c(N)ccnc3[nH]2)c1
InChIInChI=1S/C14H10N4/c15-8-9-2-1-3-10(6-9)13-7-11-12(16)4-5-17-14(11)18-13/h1-7H,(H3,16,17,18)
InChIKeyHSYTUSBSCBTLHE-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.68
Rot. Bonds1

About 3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile

3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile (PubChem CID 138570011) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile
PubChem CID138570011
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc3c(N)ccnc3[nH]2)c1
InChIInChI=1S/C14H10N4/c15-8-9-2-1-3-10(6-9)13-7-11-12(16)4-5-17-14(11)18-13/h1-7H,(H3,16,17,18)
InChIKeyHSYTUSBSCBTLHE-UHFFFAOYSA-N
XLogP2.68
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile 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-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile?
The IUPAC name of 3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile (CID 138570011) is 3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile.
What is the SMILES notation for 3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile?
The canonical SMILES for 3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile is N#Cc1cccc(-c2cc3c(N)ccnc3[nH]2)c1.
What is the InChIKey of 3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile?
The InChIKey is HSYTUSBSCBTLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-8-9-2-1-3-10(6-9)13-7-11-12(16)4-5-17-14(11)18-13/h1-7H,(H3,16,17,18).
What are the key properties of 3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile?
3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile is sourced from PubChem (CID 138570011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).