N-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C20H19F3N4O5 — CID 117072801

IUPACN-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccc(OC2CCOCC2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H18N4O3.C2HF3O2/c23-18(21-14-2-3-16-13(9-14)11-20-22-16)12-1-4-17(19-10-12)25-15-5-7-24-8-6-15;3-2(4,5)1(6)7/h1-4,9-11,15H,5-8H2,(H,20,22)(H,21,23);(H,6,7)
InChIKeyPNISZHHYILVSMQ-UHFFFAOYSA-N
MW452.39 g/mol
LogP3.40
Rot. Bonds4

About N-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 117072801) has the molecular formula C20H19F3N4O5 and a molecular weight of 452.39 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID117072801
Molecular FormulaC20H19F3N4O5
Molecular Weight452.39 g/mol
Exact Mass452.13
IUPAC NameN-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccc(OC2CCOCC2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H18N4O3.C2HF3O2/c23-18(21-14-2-3-16-13(9-14)11-20-22-16)12-1-4-17(19-10-12)25-15-5-7-24-8-6-15;3-2(4,5)1(6)7/h1-4,9-11,15H,5-8H2,(H,20,22)(H,21,23);(H,6,7)
InChIKeyPNISZHHYILVSMQ-UHFFFAOYSA-N
XLogP3.40
TPSA126.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.39
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 117072801) is N-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1ccc2[nH]ncc2c1)c1ccc(OC2CCOCC2)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is PNISZHHYILVSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3.C2HF3O2/c23-18(21-14-2-3-16-13(9-14)11-20-22-16)12-1-4-17(19-10-12)25-15-5-7-24-8-6-15;3-2(4,5)1(6)7/h1-4,9-11,15H,5-8H2,(H,20,22)(H,21,23);(H,6,7).
What are the key properties of N-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 452.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-6-(oxan-4-yloxy)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117072801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).