2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine

C19H23N9 — CID 71853675

IUPAC2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine
SMILESc1cnc2nc(NCCCn3cccn3)c(NCCCn3cccn3)nc2c1
InChIInChI=1S/C19H23N9/c1-6-16-17(20-7-1)26-19(22-9-3-13-28-15-5-11-24-28)18(25-16)21-8-2-12-27-14-4-10-23-27/h1,4-7,10-11,14-15H,2-3,8-9,12-13H2,(H,21,25)(H,20,22,26)
InChIKeyCEWUFQZMJPBONQ-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.42
Rot. Bonds10

About 2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine

2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine (PubChem CID 71853675) has the molecular formula C19H23N9 and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine
PubChem CID71853675
Molecular FormulaC19H23N9
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine
SMILESc1cnc2nc(NCCCn3cccn3)c(NCCCn3cccn3)nc2c1
InChIInChI=1S/C19H23N9/c1-6-16-17(20-7-1)26-19(22-9-3-13-28-15-5-11-24-28)18(25-16)21-8-2-12-27-14-4-10-23-27/h1,4-7,10-11,14-15H,2-3,8-9,12-13H2,(H,21,25)(H,20,22,26)
InChIKeyCEWUFQZMJPBONQ-UHFFFAOYSA-N
XLogP2.42
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine (CID 71853675) is 2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine is c1cnc2nc(NCCCn3cccn3)c(NCCCn3cccn3)nc2c1.
What is the InChIKey of 2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine?
The InChIKey is CEWUFQZMJPBONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9/c1-6-16-17(20-7-1)26-19(22-9-3-13-28-15-5-11-24-28)18(25-16)21-8-2-12-27-14-4-10-23-27/h1,4-7,10-11,14-15H,2-3,8-9,12-13H2,(H,21,25)(H,20,22,26).
What are the key properties of 2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine?
2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine has a molecular weight of 377.46 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine is sourced from PubChem (CID 71853675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).