N-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine

C15H14N8O — CID 171839029

IUPACN-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine
SMILESCOc1cc(Nc2cnc3ccn(Cc4cccnn4)c3n2)[nH]n1
InChIInChI=1S/C15H14N8O/c1-24-14-7-12(21-22-14)18-13-8-16-11-4-6-23(15(11)19-13)9-10-3-2-5-17-20-10/h2-8H,9H2,1H3,(H2,18,19,21,22)
InChIKeyGDDIFVMSCBFKRD-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.74
Rot. Bonds5

About N-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine

N-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine (PubChem CID 171839029) has the molecular formula C15H14N8O and a molecular weight of 322.33 g/mol. Its IUPAC name is N-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine.

Molecular Properties

Compound NameN-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine
PubChem CID171839029
Molecular FormulaC15H14N8O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC NameN-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine
SMILESCOc1cc(Nc2cnc3ccn(Cc4cccnn4)c3n2)[nH]n1
InChIInChI=1S/C15H14N8O/c1-24-14-7-12(21-22-14)18-13-8-16-11-4-6-23(15(11)19-13)9-10-3-2-5-17-20-10/h2-8H,9H2,1H3,(H2,18,19,21,22)
InChIKeyGDDIFVMSCBFKRD-UHFFFAOYSA-N
XLogP1.74
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine?
The IUPAC name of N-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine (CID 171839029) is N-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine.
What is the SMILES notation for N-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine?
The canonical SMILES for N-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine is COc1cc(Nc2cnc3ccn(Cc4cccnn4)c3n2)[nH]n1.
What is the InChIKey of N-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine?
The InChIKey is GDDIFVMSCBFKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O/c1-24-14-7-12(21-22-14)18-13-8-16-11-4-6-23(15(11)19-13)9-10-3-2-5-17-20-10/h2-8H,9H2,1H3,(H2,18,19,21,22).
What are the key properties of N-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine?
N-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine has a molecular weight of 322.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine is sourced from PubChem (CID 171839029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).