N-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C17H18F2N4O2 — CID 70673470

IUPACN-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC[C@@H](C)NC(=O)c1c[nH]c2ncc(OC3C=CC(F)=CC3F)nc12
InChIInChI=1S/C17H18F2N4O2/c1-3-9(2)22-17(24)11-7-20-16-15(11)23-14(8-21-16)25-13-5-4-10(18)6-12(13)19/h4-9,12-13H,3H2,1-2H3,(H,20,21)(H,22,24)/t9-,12?,13?/m1/s1
InChIKeyMKPYXOJPNGUVEJ-UHEGKEBESA-N
MW348.35 g/mol
LogP2.99
Rot. Bonds5

About N-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 70673470) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID70673470
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC NameN-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC[C@@H](C)NC(=O)c1c[nH]c2ncc(OC3C=CC(F)=CC3F)nc12
InChIInChI=1S/C17H18F2N4O2/c1-3-9(2)22-17(24)11-7-20-16-15(11)23-14(8-21-16)25-13-5-4-10(18)6-12(13)19/h4-9,12-13H,3H2,1-2H3,(H,20,21)(H,22,24)/t9-,12?,13?/m1/s1
InChIKeyMKPYXOJPNGUVEJ-UHEGKEBESA-N
XLogP2.99
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 70673470) is N-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC[C@@H](C)NC(=O)c1c[nH]c2ncc(OC3C=CC(F)=CC3F)nc12.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is MKPYXOJPNGUVEJ-UHEGKEBESA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-3-9(2)22-17(24)11-7-20-16-15(11)23-14(8-21-16)25-13-5-4-10(18)6-12(13)19/h4-9,12-13H,3H2,1-2H3,(H,20,21)(H,22,24)/t9-,12?,13?/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(4,6-difluorocyclohexa-2,4-dien-1-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 70673470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).