2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H20F3N5O2 — CID 53385986

IUPAC2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C18H20F3N5O2/c1-9(17(28)26-5-4-11(8-26)18(19,20)21)24-16(27)12-6-22-15-14(12)25-13(7-23-15)10-2-3-10/h6-7,9-11H,2-5,8H2,1H3,(H,22,23)(H,24,27)/t9?,11-/m1/s1
InChIKeyZOSZBVJOTVJHBW-HCCKASOXSA-N
MW395.39 g/mol
LogP2.36
Rot. Bonds4

About 2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 53385986) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID53385986
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C18H20F3N5O2/c1-9(17(28)26-5-4-11(8-26)18(19,20)21)24-16(27)12-6-22-15-14(12)25-13(7-23-15)10-2-3-10/h6-7,9-11H,2-5,8H2,1H3,(H,22,23)(H,24,27)/t9?,11-/m1/s1
InChIKeyZOSZBVJOTVJHBW-HCCKASOXSA-N
XLogP2.36
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 53385986) is 2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CC[C@@H](C(F)(F)F)C1.
What is the InChIKey of 2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ZOSZBVJOTVJHBW-HCCKASOXSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-9(17(28)26-5-4-11(8-26)18(19,20)21)24-16(27)12-6-22-15-14(12)25-13(7-23-15)10-2-3-10/h6-7,9-11H,2-5,8H2,1H3,(H,22,23)(H,24,27)/t9?,11-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-oxo-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 53385986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).