2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C13H13N5O2 — CID 172743373

IUPAC2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1cnc2[nH]cc(C(=O)N[C@H](C)c3ncco3)c2n1
InChIInChI=1S/C13H13N5O2/c1-7-5-15-11-10(17-7)9(6-16-11)12(19)18-8(2)13-14-3-4-20-13/h3-6,8H,1-2H3,(H,15,16)(H,18,19)/t8-/m1/s1
InChIKeyJJWBCXFJUAVOLP-MRVPVSSYSA-N
MW271.28 g/mol
LogP1.75
Rot. Bonds3

About 2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 172743373) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID172743373
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1cnc2[nH]cc(C(=O)N[C@H](C)c3ncco3)c2n1
InChIInChI=1S/C13H13N5O2/c1-7-5-15-11-10(17-7)9(6-16-11)12(19)18-8(2)13-14-3-4-20-13/h3-6,8H,1-2H3,(H,15,16)(H,18,19)/t8-/m1/s1
InChIKeyJJWBCXFJUAVOLP-MRVPVSSYSA-N
XLogP1.75
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 172743373) is 2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1cnc2[nH]cc(C(=O)N[C@H](C)c3ncco3)c2n1.
What is the InChIKey of 2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is JJWBCXFJUAVOLP-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-7-5-15-11-10(17-7)9(6-16-11)12(19)18-8(2)13-14-3-4-20-13/h3-6,8H,1-2H3,(H,15,16)(H,18,19)/t8-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 172743373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).