2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid

C22H22F3N7O3 — CID 71280178

IUPAC2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc2c(-c3cnc4[nH]cc(C(=O)NC5(C)CCNC5)c4n3)n[nH]c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H21N7O.C2HF3O2/c1-11-3-4-12-14(7-11)26-27-16(12)15-9-23-18-17(24-15)13(8-22-18)19(28)25-20(2)5-6-21-10-20;3-2(4,5)1(6)7/h3-4,7-9,21H,5-6,10H2,1-2H3,(H,22,23)(H,25,28)(H,26,27);(H,6,7)
InChIKeyKRFVSRDOCXVKOU-UHFFFAOYSA-N
MW489.46 g/mol
LogP2.92
Rot. Bonds3

About 2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid

2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 71280178) has the molecular formula C22H22F3N7O3 and a molecular weight of 489.46 g/mol. Its IUPAC name is 2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID71280178
Molecular FormulaC22H22F3N7O3
Molecular Weight489.46 g/mol
Exact Mass489.17
IUPAC Name2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc2c(-c3cnc4[nH]cc(C(=O)NC5(C)CCNC5)c4n3)n[nH]c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H21N7O.C2HF3O2/c1-11-3-4-12-14(7-11)26-27-16(12)15-9-23-18-17(24-15)13(8-22-18)19(28)25-20(2)5-6-21-10-20;3-2(4,5)1(6)7/h3-4,7-9,21H,5-6,10H2,1-2H3,(H,22,23)(H,25,28)(H,26,27);(H,6,7)
InChIKeyKRFVSRDOCXVKOU-UHFFFAOYSA-N
XLogP2.92
TPSA148.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.46
LogP ≤ 52.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 71280178) is 2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccc2c(-c3cnc4[nH]cc(C(=O)NC5(C)CCNC5)c4n3)n[nH]c2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KRFVSRDOCXVKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O.C2HF3O2/c1-11-3-4-12-14(7-11)26-27-16(12)15-9-23-18-17(24-15)13(8-22-18)19(28)25-20(2)5-6-21-10-20;3-2(4,5)1(6)7/h3-4,7-9,21H,5-6,10H2,1-2H3,(H,22,23)(H,25,28)(H,26,27);(H,6,7).
What are the key properties of 2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 489.46 g/mol, XLogP of 2.92, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71280178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).