N-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine

C12H10FN5 — CID 171679781

IUPACN-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine
SMILESFc1ncccc1CNc1cnc2[nH]ccc2n1
InChIInChI=1S/C12H10FN5/c13-11-8(2-1-4-14-11)6-16-10-7-17-12-9(18-10)3-5-15-12/h1-5,7H,6H2,(H,15,17)(H,16,18)
InChIKeyZXZWHRAMNOESDW-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.10
Rot. Bonds3

About N-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine

N-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine (PubChem CID 171679781) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is N-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine
PubChem CID171679781
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC NameN-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine
SMILESFc1ncccc1CNc1cnc2[nH]ccc2n1
InChIInChI=1S/C12H10FN5/c13-11-8(2-1-4-14-11)6-16-10-7-17-12-9(18-10)3-5-15-12/h1-5,7H,6H2,(H,15,17)(H,16,18)
InChIKeyZXZWHRAMNOESDW-UHFFFAOYSA-N
XLogP2.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine?
The IUPAC name of N-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine (CID 171679781) is N-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine.
What is the SMILES notation for N-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine?
The canonical SMILES for N-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine is Fc1ncccc1CNc1cnc2[nH]ccc2n1.
What is the InChIKey of N-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine?
The InChIKey is ZXZWHRAMNOESDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c13-11-8(2-1-4-14-11)6-16-10-7-17-12-9(18-10)3-5-15-12/h1-5,7H,6H2,(H,15,17)(H,16,18).
What are the key properties of N-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine?
N-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine has a molecular weight of 243.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-pyridinyl)methyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine is sourced from PubChem (CID 171679781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).