N-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine

C24H26N6 — CID 90414034

IUPACN-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine
SMILESCN1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C24H26N6/c1-30-11-8-18(9-12-30)21-13-20-19(7-10-26-24(20)29-21)22-15-25-16-23(28-22)27-14-17-5-3-2-4-6-17/h2-7,10,13,15-16,18H,8-9,11-12,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyWDCOASTUUMLOIP-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.44
Rot. Bonds5

About N-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine

N-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine (PubChem CID 90414034) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine
PubChem CID90414034
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC NameN-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine
SMILESCN1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C24H26N6/c1-30-11-8-18(9-12-30)21-13-20-19(7-10-26-24(20)29-21)22-15-25-16-23(28-22)27-14-17-5-3-2-4-6-17/h2-7,10,13,15-16,18H,8-9,11-12,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyWDCOASTUUMLOIP-UHFFFAOYSA-N
XLogP4.44
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine 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-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine?
The IUPAC name of N-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine (CID 90414034) is N-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine.
What is the SMILES notation for N-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine?
The canonical SMILES for N-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine is CN1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1.
What is the InChIKey of N-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine?
The InChIKey is WDCOASTUUMLOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-30-11-8-18(9-12-30)21-13-20-19(7-10-26-24(20)29-21)22-15-25-16-23(28-22)27-14-17-5-3-2-4-6-17/h2-7,10,13,15-16,18H,8-9,11-12,14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine?
N-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine has a molecular weight of 398.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazin-2-amine is sourced from PubChem (CID 90414034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).