3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline

C17H14N6 — CID 141348313

IUPAC3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline
SMILESNc1cccc(Cn2cc(-c3cnc4cccnc4n3)cn2)c1
InChIInChI=1S/C17H14N6/c18-14-4-1-3-12(7-14)10-23-11-13(8-21-23)16-9-20-15-5-2-6-19-17(15)22-16/h1-9,11H,10,18H2
InChIKeyLBUIYTPMSBBMSH-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.52
Rot. Bonds3

About 3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline

3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline (PubChem CID 141348313) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline.

Molecular Properties

Compound Name3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline
PubChem CID141348313
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline
SMILESNc1cccc(Cn2cc(-c3cnc4cccnc4n3)cn2)c1
InChIInChI=1S/C17H14N6/c18-14-4-1-3-12(7-14)10-23-11-13(8-21-23)16-9-20-15-5-2-6-19-17(15)22-16/h1-9,11H,10,18H2
InChIKeyLBUIYTPMSBBMSH-UHFFFAOYSA-N
XLogP2.52
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]aniline
CID 63338451
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338628
3-[(4-methoxypyrazol-1-yl)methyl]aniline
CID 138319963
1-ethyl-3-[3-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 88992754
1-[3-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3-(2,2,2-trifluoroethyl)thiourea
CID 66556266
2-methyl-5-pyrido[2,3-b]pyrazin-3-ylaniline
CID 141174884
3-(triazol-2-ylmethyl)aniline
CID 22077803
3-[(4-methylsulfonylpyrazol-1-yl)methyl]aniline
CID 165480925
3-(4-iodophenyl)pyrido[2,3-b]pyrazine
CID 118796574
3-[[4-[4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]methyl]aniline
CID 168875087
3-(1-methylimidazol-4-yl)pyrido[2,3-b]pyrazine
CID 141348292
3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 79700254

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline?
The IUPAC name of 3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline (CID 141348313) is 3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline.
What is the SMILES notation for 3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline?
The canonical SMILES for 3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline is Nc1cccc(Cn2cc(-c3cnc4cccnc4n3)cn2)c1.
What is the InChIKey of 3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline?
The InChIKey is LBUIYTPMSBBMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c18-14-4-1-3-12(7-14)10-23-11-13(8-21-23)16-9-20-15-5-2-6-19-17(15)22-16/h1-9,11H,10,18H2.
What are the key properties of 3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline?
3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline has a molecular weight of 302.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyrido[2,3-b]pyrazin-3-ylpyrazol-1-yl)methyl]aniline is sourced from PubChem (CID 141348313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).