1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide

C13H10ClFN4O — CID 91045648

IUPAC1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cnc(-c3ccncc3F)c(Cl)n2)CC1
InChIInChI=1S/C13H10ClFN4O/c14-11-10(7-1-4-17-5-8(7)15)18-6-9(19-11)13(2-3-13)12(16)20/h1,4-6H,2-3H2,(H2,16,20)
InChIKeyMRUDQGIXADVILZ-UHFFFAOYSA-N
MW292.70 g/mol
LogP1.85
Rot. Bonds3

About 1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide

1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide (PubChem CID 91045648) has the molecular formula C13H10ClFN4O and a molecular weight of 292.70 g/mol. Its IUPAC name is 1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide
PubChem CID91045648
Molecular FormulaC13H10ClFN4O
Molecular Weight292.70 g/mol
Exact Mass292.05
IUPAC Name1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cnc(-c3ccncc3F)c(Cl)n2)CC1
InChIInChI=1S/C13H10ClFN4O/c14-11-10(7-1-4-17-5-8(7)15)18-6-9(19-11)13(2-3-13)12(16)20/h1,4-6H,2-3H2,(H2,16,20)
InChIKeyMRUDQGIXADVILZ-UHFFFAOYSA-N
XLogP1.85
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide 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 1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide (CID 91045648) is 1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide is NC(=O)C1(c2cnc(-c3ccncc3F)c(Cl)n2)CC1.
What is the InChIKey of 1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is MRUDQGIXADVILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4O/c14-11-10(7-1-4-17-5-8(7)15)18-6-9(19-11)13(2-3-13)12(16)20/h1,4-6H,2-3H2,(H2,16,20).
What are the key properties of 1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide?
1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 292.70 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-5-(3-fluoro-4-pyridinyl)pyrazin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 91045648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).