2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H16F4N6O2 — CID 71290396

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NCc4cccc(OC(F)(F)F)c4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C23H16F4N6O2/c1-33-18-8-13(24)5-6-15(18)19(32-33)17-11-29-21-20(31-17)16(10-28-21)22(34)30-9-12-3-2-4-14(7-12)35-23(25,26)27/h2-8,10-11H,9H2,1H3,(H,28,29)(H,30,34)
InChIKeyBXWQHROXXIDAFV-UHFFFAOYSA-N
MW484.41 g/mol
LogP4.48
Rot. Bonds5

About 2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71290396) has the molecular formula C23H16F4N6O2 and a molecular weight of 484.41 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71290396
Molecular FormulaC23H16F4N6O2
Molecular Weight484.41 g/mol
Exact Mass484.13
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NCc4cccc(OC(F)(F)F)c4)c3n2)c2ccc(F)cc21
InChIInChI=1S/C23H16F4N6O2/c1-33-18-8-13(24)5-6-15(18)19(32-33)17-11-29-21-20(31-17)16(10-28-21)22(34)30-9-12-3-2-4-14(7-12)35-23(25,26)27/h2-8,10-11H,9H2,1H3,(H,28,29)(H,30,34)
InChIKeyBXWQHROXXIDAFV-UHFFFAOYSA-N
XLogP4.48
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71290396) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)NCc4cccc(OC(F)(F)F)c4)c3n2)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is BXWQHROXXIDAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N6O2/c1-33-18-8-13(24)5-6-15(18)19(32-33)17-11-29-21-20(31-17)16(10-28-21)22(34)30-9-12-3-2-4-14(7-12)35-23(25,26)27/h2-8,10-11H,9H2,1H3,(H,28,29)(H,30,34).
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 484.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71290396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).