2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C20H21F2N5O2 — CID 162605302

IUPAC2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(NC1CC1(C(=O)N1CC(F)(F)C1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C20H21F2N5O2/c21-19(22)8-27(9-19)18(29)20(11-3-4-11)5-14(20)26-17(28)12-6-23-16-15(12)25-13(7-24-16)10-1-2-10/h6-7,10-11,14H,1-5,8-9H2,(H,23,24)(H,26,28)
InChIKeyAVBXWTCYFROBOF-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.21
Rot. Bonds5

About 2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 162605302) has the molecular formula C20H21F2N5O2 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID162605302
Molecular FormulaC20H21F2N5O2
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(NC1CC1(C(=O)N1CC(F)(F)C1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C20H21F2N5O2/c21-19(22)8-27(9-19)18(29)20(11-3-4-11)5-14(20)26-17(28)12-6-23-16-15(12)25-13(7-24-16)10-1-2-10/h6-7,10-11,14H,1-5,8-9H2,(H,23,24)(H,26,28)
InChIKeyAVBXWTCYFROBOF-UHFFFAOYSA-N
XLogP2.21
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54755371
N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54755745
N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 129013471
2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54674990
N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58438606
2-cyclopropyl-N-(2-cyclopropylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67125135
N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54673425
2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54755864
N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522109
N-(2-cyclohexylethyl)-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67125149
2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 144855513
2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54674058

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 162605302) is 2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is O=C(NC1CC1(C(=O)N1CC(F)(F)C1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is AVBXWTCYFROBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O2/c21-19(22)8-27(9-19)18(29)20(11-3-4-11)5-14(20)26-17(28)12-6-23-16-15(12)25-13(7-24-16)10-1-2-10/h6-7,10-11,14H,1-5,8-9H2,(H,23,24)(H,26,28).
What are the key properties of 2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 162605302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).