N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide

C22H22FN5O3 — CID 24800953

IUPACN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cnc(OCc2cnccn2)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C22H22FN5O3/c1-22(30,15-4-5-15)13-27-20(29)18-11-26-21(31-12-17-10-24-8-9-25-17)19(28-18)14-2-6-16(23)7-3-14/h2-3,6-11,15,30H,4-5,12-13H2,1H3,(H,27,29)/t22-/m0/s1
InChIKeyAFZJRYKEUVGFGI-QFIPXVFZSA-N
MW423.45 g/mol
LogP2.54
Rot. Bonds8

About N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide (PubChem CID 24800953) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide
PubChem CID24800953
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cnc(OCc2cnccn2)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C22H22FN5O3/c1-22(30,15-4-5-15)13-27-20(29)18-11-26-21(31-12-17-10-24-8-9-25-17)19(28-18)14-2-6-16(23)7-3-14/h2-3,6-11,15,30H,4-5,12-13H2,1H3,(H,27,29)/t22-/m0/s1
InChIKeyAFZJRYKEUVGFGI-QFIPXVFZSA-N
XLogP2.54
TPSA110.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide (CID 24800953) is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide is C[C@](O)(CNC(=O)c1cnc(OCc2cnccn2)c(-c2ccc(F)cc2)n1)C1CC1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide?
The InChIKey is AFZJRYKEUVGFGI-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22FN5O3/c1-22(30,15-4-5-15)13-27-20(29)18-11-26-21(31-12-17-10-24-8-9-25-17)19(28-18)14-2-6-16(23)7-3-14/h2-3,6-11,15,30H,4-5,12-13H2,1H3,(H,27,29)/t22-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide?
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyrazin-2-ylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 24800953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).