4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

C20H19F3N6O4 — CID 162325473

IUPAC4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(-c2cc(C(N)=O)nc3[nH]ncc23)c2c(OCCN)cccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C18H18N6O2.C2HF3O2/c1-24-9-12(16-14(24)3-2-4-15(16)26-6-5-19)10-7-13(17(20)25)22-18-11(10)8-21-23-18;3-2(4,5)1(6)7/h2-4,7-9H,5-6,19H2,1H3,(H2,20,25)(H,21,22,23);(H,6,7)
InChIKeyUAXGKJVURQQTKU-UHFFFAOYSA-N
MW464.40 g/mol
LogP2.19
Rot. Bonds5

About 4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 162325473) has the molecular formula C20H19F3N6O4 and a molecular weight of 464.40 g/mol. Its IUPAC name is 4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID162325473
Molecular FormulaC20H19F3N6O4
Molecular Weight464.40 g/mol
Exact Mass464.14
IUPAC Name4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(-c2cc(C(N)=O)nc3[nH]ncc23)c2c(OCCN)cccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C18H18N6O2.C2HF3O2/c1-24-9-12(16-14(24)3-2-4-15(16)26-6-5-19)10-7-13(17(20)25)22-18-11(10)8-21-23-18;3-2(4,5)1(6)7/h2-4,7-9H,5-6,19H2,1H3,(H2,20,25)(H,21,22,23);(H,6,7)
InChIKeyUAXGKJVURQQTKU-UHFFFAOYSA-N
XLogP2.19
TPSA162.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (CID 162325473) is 4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is Cn1cc(-c2cc(C(N)=O)nc3[nH]ncc23)c2c(OCCN)cccc21.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UAXGKJVURQQTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2.C2HF3O2/c1-24-9-12(16-14(24)3-2-4-15(16)26-6-5-19)10-7-13(17(20)25)22-18-11(10)8-21-23-18;3-2(4,5)1(6)7/h2-4,7-9H,5-6,19H2,1H3,(H2,20,25)(H,21,22,23);(H,6,7).
What are the key properties of 4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 464.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethoxy)-1-methylindol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162325473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).