N-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide

C17H22F2N4O3 — CID 71525668

IUPACN-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
SMILESO=C(NC(CO)C1CC1)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C17H22F2N4O3/c18-17(19)8-23(9-17)14-16(26-7-10-1-2-10)22-12(5-20-14)15(25)21-13(6-24)11-3-4-11/h5,10-11,13,24H,1-4,6-9H2,(H,21,25)
InChIKeyVSCMKZVZZCTJMJ-UHFFFAOYSA-N
MW368.38 g/mol
LogP1.22
Rot. Bonds8

About N-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide

N-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide (PubChem CID 71525668) has the molecular formula C17H22F2N4O3 and a molecular weight of 368.38 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
PubChem CID71525668
Molecular FormulaC17H22F2N4O3
Molecular Weight368.38 g/mol
Exact Mass368.17
IUPAC NameN-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
SMILESO=C(NC(CO)C1CC1)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C17H22F2N4O3/c18-17(19)8-23(9-17)14-16(26-7-10-1-2-10)22-12(5-20-14)15(25)21-13(6-24)11-3-4-11/h5,10-11,13,24H,1-4,6-9H2,(H,21,25)
InChIKeyVSCMKZVZZCTJMJ-UHFFFAOYSA-N
XLogP1.22
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide (CID 71525668) is N-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide is O=C(NC(CO)C1CC1)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of N-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The InChIKey is VSCMKZVZZCTJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O3/c18-17(19)8-23(9-17)14-16(26-7-10-1-2-10)22-12(5-20-14)15(25)21-13(6-24)11-3-4-11/h5,10-11,13,24H,1-4,6-9H2,(H,21,25).
What are the key properties of N-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
N-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide has a molecular weight of 368.38 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-hydroxyethyl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 71525668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).