N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide

C22H26FN3O4 — CID 91368368

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide
SMILESCC(O)(CNC(=O)c1cnc(OCC2CCCO2)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C22H26FN3O4/c1-22(28,15-6-7-15)13-25-20(27)18-11-24-21(30-12-17-3-2-10-29-17)19(26-18)14-4-8-16(23)9-5-14/h4-5,8-9,11,15,17,28H,2-3,6-7,10,12-13H2,1H3,(H,25,27)
InChIKeyIMVIPQAHTPDAJH-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.73
Rot. Bonds8

About N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide

N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide (PubChem CID 91368368) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide
PubChem CID91368368
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide
SMILESCC(O)(CNC(=O)c1cnc(OCC2CCCO2)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C22H26FN3O4/c1-22(28,15-6-7-15)13-25-20(27)18-11-24-21(30-12-17-3-2-10-29-17)19(26-18)14-4-8-16(23)9-5-14/h4-5,8-9,11,15,17,28H,2-3,6-7,10,12-13H2,1H3,(H,25,27)
InChIKeyIMVIPQAHTPDAJH-UHFFFAOYSA-N
XLogP2.73
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 24800607
N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-[(2R)-2-methoxypropoxy]pyrazine-2-carboxamide
CID 24856676
[6-(4-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methoxy]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate
CID 68801079
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 24800782
5-butoxy-N-(2-cyclopropyl-2-hydroxypropyl)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 91571801
N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide
CID 21109682
N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyridine-3-carboxamide
CID 21109677
N-(2-cyclopropyl-2-hydroxypropyl)-6-(2,4-dichlorophenyl)-5-(2-methoxyethoxy)pyrazine-2-carboxamide
CID 86616973
N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 160897886
N-[(4-fluorophenyl)methyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017286
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 127266585

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide (CID 91368368) is N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide is CC(O)(CNC(=O)c1cnc(OCC2CCCO2)c(-c2ccc(F)cc2)n1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide?
The InChIKey is IMVIPQAHTPDAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-22(28,15-6-7-15)13-25-20(27)18-11-24-21(30-12-17-3-2-10-29-17)19(26-18)14-4-8-16(23)9-5-14/h4-5,8-9,11,15,17,28H,2-3,6-7,10,12-13H2,1H3,(H,25,27).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide?
N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(oxolan-2-ylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 91368368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).