N-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

C23H23F6N5O6 — CID 117072803

IUPACN-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCC(Oc2ccc(C(=O)Nc3ccc4[nH]ncc4c3)cn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N5O2.2C2HF3O2/c1-24-8-6-16(7-9-24)26-18-5-2-13(11-20-18)19(25)22-15-3-4-17-14(10-15)12-21-23-17;2*3-2(4,5)1(6)7/h2-5,10-12,16H,6-9H2,1H3,(H,21,23)(H,22,25);2*(H,6,7)
InChIKeyXXWWANDLHCXFDL-UHFFFAOYSA-N
MW579.45 g/mol
LogP3.95
Rot. Bonds4

About N-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 117072803) has the molecular formula C23H23F6N5O6 and a molecular weight of 579.45 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID117072803
Molecular FormulaC23H23F6N5O6
Molecular Weight579.45 g/mol
Exact Mass579.16
IUPAC NameN-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCC(Oc2ccc(C(=O)Nc3ccc4[nH]ncc4c3)cn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N5O2.2C2HF3O2/c1-24-8-6-16(7-9-24)26-18-5-2-13(11-20-18)19(25)22-15-3-4-17-14(10-15)12-21-23-17;2*3-2(4,5)1(6)7/h2-5,10-12,16H,6-9H2,1H3,(H,21,23)(H,22,25);2*(H,6,7)
InChIKeyXXWWANDLHCXFDL-UHFFFAOYSA-N
XLogP3.95
TPSA157.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.45
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 117072803) is N-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is CN1CCC(Oc2ccc(C(=O)Nc3ccc4[nH]ncc4c3)cn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is XXWWANDLHCXFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2.2C2HF3O2/c1-24-8-6-16(7-9-24)26-18-5-2-13(11-20-18)19(25)22-15-3-4-17-14(10-15)12-21-23-17;2*3-2(4,5)1(6)7/h2-5,10-12,16H,6-9H2,1H3,(H,21,23)(H,22,25);2*(H,6,7).
What are the key properties of N-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
N-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 579.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-6-(1-methylpiperidin-4-yl)oxypyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 117072803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).