2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid

C17H18N6O2 — CID 56883627

IUPAC2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
SMILESO=C(O)CNc1cc(-c2nccnc2N2CCCC2)c2cc[nH]c2n1
InChIInChI=1S/C17H18N6O2/c24-14(25)10-21-13-9-12(11-3-4-19-16(11)22-13)15-17(20-6-5-18-15)23-7-1-2-8-23/h3-6,9H,1-2,7-8,10H2,(H,24,25)(H2,19,21,22)
InChIKeyDSVMGJCRCYSHHT-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.12
Rot. Bonds5

About 2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid

2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid (PubChem CID 56883627) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
PubChem CID56883627
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
SMILESO=C(O)CNc1cc(-c2nccnc2N2CCCC2)c2cc[nH]c2n1
InChIInChI=1S/C17H18N6O2/c24-14(25)10-21-13-9-12(11-3-4-19-16(11)22-13)15-17(20-6-5-18-15)23-7-1-2-8-23/h3-6,9H,1-2,7-8,10H2,(H,24,25)(H2,19,21,22)
InChIKeyDSVMGJCRCYSHHT-UHFFFAOYSA-N
XLogP2.12
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid 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 2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid (CID 56883627) is 2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid is O=C(O)CNc1cc(-c2nccnc2N2CCCC2)c2cc[nH]c2n1.
What is the InChIKey of 2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid?
The InChIKey is DSVMGJCRCYSHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-14(25)10-21-13-9-12(11-3-4-19-16(11)22-13)15-17(20-6-5-18-15)23-7-1-2-8-23/h3-6,9H,1-2,7-8,10H2,(H,24,25)(H2,19,21,22).
What are the key properties of 2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid?
2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid has a molecular weight of 338.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid is sourced from PubChem (CID 56883627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).