6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

C19H17F6N5O6 — CID 117072827

IUPAC6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESNCCOc1ccc(C(=O)Nc2ccc3[nH]ncc3c2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15N5O2.2C2HF3O2/c16-5-6-22-14-4-1-10(8-17-14)15(21)19-12-2-3-13-11(7-12)9-18-20-13;2*3-2(4,5)1(6)7/h1-4,7-9H,5-6,16H2,(H,18,20)(H,19,21);2*(H,6,7)
InChIKeyTUGVAXRCGPOZCO-UHFFFAOYSA-N
MW525.36 g/mol
LogP2.81
Rot. Bonds5

About 6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 117072827) has the molecular formula C19H17F6N5O6 and a molecular weight of 525.36 g/mol. Its IUPAC name is 6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID117072827
Molecular FormulaC19H17F6N5O6
Molecular Weight525.36 g/mol
Exact Mass525.11
IUPAC Name6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESNCCOc1ccc(C(=O)Nc2ccc3[nH]ncc3c2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15N5O2.2C2HF3O2/c16-5-6-22-14-4-1-10(8-17-14)15(21)19-12-2-3-13-11(7-12)9-18-20-13;2*3-2(4,5)1(6)7/h1-4,7-9H,5-6,16H2,(H,18,20)(H,19,21);2*(H,6,7)
InChIKeyTUGVAXRCGPOZCO-UHFFFAOYSA-N
XLogP2.81
TPSA180.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.36
LogP ≤ 52.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 117072827) is 6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is NCCOc1ccc(C(=O)Nc2ccc3[nH]ncc3c2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is TUGVAXRCGPOZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2.2C2HF3O2/c16-5-6-22-14-4-1-10(8-17-14)15(21)19-12-2-3-13-11(7-12)9-18-20-13;2*3-2(4,5)1(6)7/h1-4,7-9H,5-6,16H2,(H,18,20)(H,19,21);2*(H,6,7).
What are the key properties of 6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 525.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethoxy)-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 117072827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).