N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

C19H19F4N3O3 — CID 160897886

IUPACN-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESCC(O)[C@@H](NC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C19H19F4N3O3/c1-10(27)15(11-2-3-11)26-17(28)14-8-24-18(29-9-19(21,22)23)16(25-14)12-4-6-13(20)7-5-12/h4-8,10-11,15,27H,2-3,9H2,1H3,(H,26,28)/t10?,15-/m1/s1
InChIKeySPCPIAQVTJZZSB-GENIYJEYSA-N
MW413.37 g/mol
LogP3.11
Rot. Bonds7

About N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (PubChem CID 160897886) has the molecular formula C19H19F4N3O3 and a molecular weight of 413.37 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
PubChem CID160897886
Molecular FormulaC19H19F4N3O3
Molecular Weight413.37 g/mol
Exact Mass413.14
IUPAC NameN-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESCC(O)[C@@H](NC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C19H19F4N3O3/c1-10(27)15(11-2-3-11)26-17(28)14-8-24-18(29-9-19(21,22)23)16(25-14)12-4-6-13(20)7-5-12/h4-8,10-11,15,27H,2-3,9H2,1H3,(H,26,28)/t10?,15-/m1/s1
InChIKeySPCPIAQVTJZZSB-GENIYJEYSA-N
XLogP3.11
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-3-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 162119855
N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-[(2R)-2-methoxypropoxy]pyrazine-2-carboxamide
CID 24856676
N-(2-cyclopropyl-2-hydroxypropyl)-5-(cyclopropylmethoxy)-6-(4-fluorophenyl)pyrazine-2-carboxamide
CID 24800607
N-(2-cyclopropyl-2-hydroxypropyl)-6-(4-fluorophenyl)-5-(3-methoxypropoxy)pyrazine-2-carboxamide
CID 24856593
5-butoxy-N-(2-cyclopropyl-2-hydroxypropyl)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 91571801
N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 162573502
[5-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl] N-[(2R)-2-cyclopropyl-2-hydroxypropyl]carbamate
CID 87579458
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(cyclopropylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 24800782
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide
CID 67290537
N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 71509734
methyl 2-[[6-(3-chlorophenyl)-5-(cyclopropylmethoxy)pyrazine-2-carbonyl]amino]-3-methylbutanoate
CID 68567971
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-fluoropyrazine-2-carboxamide
CID 150859604

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (CID 160897886) is N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is CC(O)[C@@H](NC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(F)cc2)n1)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is SPCPIAQVTJZZSB-GENIYJEYSA-N. The full InChI is InChI=1S/C19H19F4N3O3/c1-10(27)15(11-2-3-11)26-17(28)14-8-24-18(29-9-19(21,22)23)16(25-14)12-4-6-13(20)7-5-12/h4-8,10-11,15,27H,2-3,9H2,1H3,(H,26,28)/t10?,15-/m1/s1.
What are the key properties of N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 413.37 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropyl-2-hydroxypropyl]-6-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 160897886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).