4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

C24H19F3N6O4 — CID 157270435

IUPAC4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(-c2cc(C(N)=O)nc3[nH]ncc23)c2c(OCc3ccccn3)cccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C22H18N6O2.C2HF3O2/c1-28-11-16(14-9-17(21(23)29)26-22-15(14)10-25-27-22)20-18(28)6-4-7-19(20)30-12-13-5-2-3-8-24-13;3-2(4,5)1(6)7/h2-11H,12H2,1H3,(H2,23,29)(H,25,26,27);(H,6,7)
InChIKeyMBGRTNHRAATDDC-UHFFFAOYSA-N
MW512.45 g/mol
LogP3.82
Rot. Bonds5

About 4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 157270435) has the molecular formula C24H19F3N6O4 and a molecular weight of 512.45 g/mol. Its IUPAC name is 4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID157270435
Molecular FormulaC24H19F3N6O4
Molecular Weight512.45 g/mol
Exact Mass512.14
IUPAC Name4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(-c2cc(C(N)=O)nc3[nH]ncc23)c2c(OCc3ccccn3)cccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C22H18N6O2.C2HF3O2/c1-28-11-16(14-9-17(21(23)29)26-22-15(14)10-25-27-22)20-18(28)6-4-7-19(20)30-12-13-5-2-3-8-24-13;3-2(4,5)1(6)7/h2-11H,12H2,1H3,(H2,23,29)(H,25,26,27);(H,6,7)
InChIKeyMBGRTNHRAATDDC-UHFFFAOYSA-N
XLogP3.82
TPSA149.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.45
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (CID 157270435) is 4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-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(OCc3ccccn3)cccc21.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MBGRTNHRAATDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2.C2HF3O2/c1-28-11-16(14-9-17(21(23)29)26-22-15(14)10-25-27-22)20-18(28)6-4-7-19(20)30-12-13-5-2-3-8-24-13;3-2(4,5)1(6)7/h2-11H,12H2,1H3,(H2,23,29)(H,25,26,27);(H,6,7).
What are the key properties of 4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 512.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-(pyridin-2-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157270435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).