2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

C17H16F3N5O4 — CID 117072821

IUPAC2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESNCCOc1cc(C(=O)Nc2ccc3[nH]ncc3c2)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15N5O2.C2HF3O2/c16-4-6-22-14-8-10(3-5-17-14)15(21)19-12-1-2-13-11(7-12)9-18-20-13;3-2(4,5)1(6)7/h1-3,5,7-9H,4,6,16H2,(H,18,20)(H,19,21);(H,6,7)
InChIKeyCPFAOLQWUGQCBS-UHFFFAOYSA-N
MW411.34 g/mol
LogP2.18
Rot. Bonds5

About 2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 117072821) has the molecular formula C17H16F3N5O4 and a molecular weight of 411.34 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID117072821
Molecular FormulaC17H16F3N5O4
Molecular Weight411.34 g/mol
Exact Mass411.12
IUPAC Name2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESNCCOc1cc(C(=O)Nc2ccc3[nH]ncc3c2)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15N5O2.C2HF3O2/c16-4-6-22-14-8-10(3-5-17-14)15(21)19-12-1-2-13-11(7-12)9-18-20-13;3-2(4,5)1(6)7/h1-3,5,7-9H,4,6,16H2,(H,18,20)(H,19,21);(H,6,7)
InChIKeyCPFAOLQWUGQCBS-UHFFFAOYSA-N
XLogP2.18
TPSA143.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 117072821) is 2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is NCCOc1cc(C(=O)Nc2ccc3[nH]ncc3c2)ccn1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CPFAOLQWUGQCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2.C2HF3O2/c16-4-6-22-14-8-10(3-5-17-14)15(21)19-12-1-2-13-11(7-12)9-18-20-13;3-2(4,5)1(6)7/h1-3,5,7-9H,4,6,16H2,(H,18,20)(H,19,21);(H,6,7).
What are the key properties of 2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 411.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117072821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).