2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide

C19H16F3N5O2 — CID 58382242

IUPAC2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide
SMILESCOc1ccc2c(c1)c(-c1cc3nc(CNC(=O)C(F)(F)F)cnc3[nH]1)cn2C
InChIInChI=1S/C19H16F3N5O2/c1-27-9-13(12-5-11(29-2)3-4-16(12)27)14-6-15-17(26-14)23-7-10(25-15)8-24-18(28)19(20,21)22/h3-7,9H,8H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyFEMSOCDQAZZXAC-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.30
Rot. Bonds4

About 2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide

2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide (PubChem CID 58382242) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide
PubChem CID58382242
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Name2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide
SMILESCOc1ccc2c(c1)c(-c1cc3nc(CNC(=O)C(F)(F)F)cnc3[nH]1)cn2C
InChIInChI=1S/C19H16F3N5O2/c1-27-9-13(12-5-11(29-2)3-4-16(12)27)14-6-15-17(26-14)23-7-10(25-15)8-24-18(28)19(20,21)22/h3-7,9H,8H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyFEMSOCDQAZZXAC-UHFFFAOYSA-N
XLogP3.30
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide (CID 58382242) is 2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide is COc1ccc2c(c1)c(-c1cc3nc(CNC(=O)C(F)(F)F)cnc3[nH]1)cn2C.
What is the InChIKey of 2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide?
The InChIKey is FEMSOCDQAZZXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c1-27-9-13(12-5-11(29-2)3-4-16(12)27)14-6-15-17(26-14)23-7-10(25-15)8-24-18(28)19(20,21)22/h3-7,9H,8H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of 2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide has a molecular weight of 403.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 58382242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).