N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C21H25N5O2 — CID 129013471

IUPACN-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(N[C@@H](C(=O)N1CC2(CCC2)C1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C21H25N5O2/c27-19(14-8-22-18-17(14)24-15(9-23-18)12-2-3-12)25-16(13-4-5-13)20(28)26-10-21(11-26)6-1-7-21/h8-9,12-13,16H,1-7,10-11H2,(H,22,23)(H,25,27)/t16-/m1/s1
InChIKeyJFGICIGANWRRRB-MRXNPFEDSA-N
MW379.46 g/mol
LogP2.36
Rot. Bonds5

About N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 129013471) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID129013471
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(N[C@@H](C(=O)N1CC2(CCC2)C1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C21H25N5O2/c27-19(14-8-22-18-17(14)24-15(9-23-18)12-2-3-12)25-16(13-4-5-13)20(28)26-10-21(11-26)6-1-7-21/h8-9,12-13,16H,1-7,10-11H2,(H,22,23)(H,25,27)/t16-/m1/s1
InChIKeyJFGICIGANWRRRB-MRXNPFEDSA-N
XLogP2.36
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

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
N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 129013481
methyl 1-[2-cyclohexyl-2-[(2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)amino]acetyl]pyrrolidine-3-carboxylate
CID 129033271
2-cyclopropyl-N-[1-cyclopropyl-2-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 129024068
N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54673425
2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54674990
2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 87380460
N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53386043
N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522109
2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 162605302
2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54755371
2-cyclopropyl-N-(2-cyclopropylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67125135

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 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) is N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is O=C(N[C@@H](C(=O)N1CC2(CCC2)C1)C1CC1)c1c[nH]c2ncc(C3CC3)nc12.
What is the InChIKey of N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is JFGICIGANWRRRB-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-19(14-8-22-18-17(14)24-15(9-23-18)12-2-3-12)25-16(13-4-5-13)20(28)26-10-21(11-26)6-1-7-21/h8-9,12-13,16H,1-7,10-11H2,(H,22,23)(H,25,27)/t16-/m1/s1.
What are the key properties of N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 129013471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).