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

C23H23FN4O3 — CID 24800783

IUPACN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cnc(OCc2ccccn2)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C23H23FN4O3/c1-23(30,16-7-8-16)14-27-21(29)19-12-26-22(31-13-18-4-2-3-11-25-18)20(28-19)15-5-9-17(24)10-6-15/h2-6,9-12,16,30H,7-8,13-14H2,1H3,(H,27,29)/t23-/m0/s1
InChIKeyJGTZEBGWEXYLCC-QHCPKHFHSA-N
MW422.46 g/mol
LogP3.15
Rot. Bonds8

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

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide (PubChem CID 24800783) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide
PubChem CID24800783
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cnc(OCc2ccccn2)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C23H23FN4O3/c1-23(30,16-7-8-16)14-27-21(29)19-12-26-22(31-13-18-4-2-3-11-25-18)20(28-19)15-5-9-17(24)10-6-15/h2-6,9-12,16,30H,7-8,13-14H2,1H3,(H,27,29)/t23-/m0/s1
InChIKeyJGTZEBGWEXYLCC-QHCPKHFHSA-N
XLogP3.15
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)pyrazine-2-carboxamide
CID 54582823
N-[2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71449283
N-[2-[2-[5-(difluoromethoxy)pyrazin-2-yl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71456401
5-[2-(3,4-difluorophenyl)-2,2-difluoroethoxy]-N-(1-pyridin-3-ylcyclopropyl)pyrazine-2-carboxamide
CID 178306687
5-[2-(3,4-difluorophenyl)-2,2-difluoroethoxy]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 178309924
5-[(3,4-difluorophenyl)methoxymethyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 178310369
5-[2-(3,4-difluorophenoxy)-1,1-difluoroethyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 178310506
1-(2-fluorobenzyl)-N-[2-(3-pyridinyloxy)propyl]-1H-1,2,3-triazole-4-carboxamide
CID 45206106
5-(2-Fluoro-4-{[2-(tetrahydropyran-4-yl)ethylamino]methyl}phenoxy)pyrazine-2-carboxamide
CID 9999471
N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide
CID 21109676
N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 21109678
N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide
CID 21109679

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide (CID 24800783) is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide is C[C@](O)(CNC(=O)c1cnc(OCc2ccccn2)c(-c2ccc(F)cc2)n1)C1CC1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide?
The InChIKey is JGTZEBGWEXYLCC-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-23(30,16-7-8-16)14-27-21(29)19-12-26-22(31-13-18-4-2-3-11-25-18)20(28-19)15-5-9-17(24)10-6-15/h2-6,9-12,16,30H,7-8,13-14H2,1H3,(H,27,29)/t23-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide?
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 24800783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).