2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

C22H19F3N6O3 — CID 152617534

IUPAC2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N2CCc3cccnc32)n1
InChIInChI=1S/C22H19F3N6O3/c1-11-4-5-13(21(34,20(27)33)22(23,24)25)9-14(11)15-10-29-17(26)16(30-15)19(32)31-8-6-12-3-2-7-28-18(12)31/h2-5,7,9-10,34H,6,8H2,1H3,(H2,26,29)(H2,27,33)
InChIKeyZAVFYOMTOZJUHA-UHFFFAOYSA-N
MW472.43 g/mol
LogP1.87
Rot. Bonds4

About 2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 152617534) has the molecular formula C22H19F3N6O3 and a molecular weight of 472.43 g/mol. Its IUPAC name is 2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID152617534
Molecular FormulaC22H19F3N6O3
Molecular Weight472.43 g/mol
Exact Mass472.15
IUPAC Name2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N2CCc3cccnc32)n1
InChIInChI=1S/C22H19F3N6O3/c1-11-4-5-13(21(34,20(27)33)22(23,24)25)9-14(11)15-10-29-17(26)16(30-15)19(32)31-8-6-12-3-2-7-28-18(12)31/h2-5,7,9-10,34H,6,8H2,1H3,(H2,26,29)(H2,27,33)
InChIKeyZAVFYOMTOZJUHA-UHFFFAOYSA-N
XLogP1.87
TPSA148.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 152617534) is 2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(C(=O)N2CCc3cccnc32)n1.
What is the InChIKey of 2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is ZAVFYOMTOZJUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O3/c1-11-4-5-13(21(34,20(27)33)22(23,24)25)9-14(11)15-10-29-17(26)16(30-15)19(32)31-8-6-12-3-2-7-28-18(12)31/h2-5,7,9-10,34H,6,8H2,1H3,(H2,26,29)(H2,27,33).
What are the key properties of 2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 472.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 152617534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).