2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

C20H19F6N5O6 — CID 117072855

IUPAC2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESC[C@H](CN)Oc1ncccc1C(=O)Nc1ccc2[nH]ncc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H17N5O2.2C2HF3O2/c1-10(8-17)23-16-13(3-2-6-18-16)15(22)20-12-4-5-14-11(7-12)9-19-21-14;2*3-2(4,5)1(6)7/h2-7,9-10H,8,17H2,1H3,(H,19,21)(H,20,22);2*(H,6,7)/t10-;;/m1../s1
InChIKeyRKJAEBMEZFSPJY-YQFADDPSSA-N
MW539.39 g/mol
LogP3.20
Rot. Bonds5

About 2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 117072855) has the molecular formula C20H19F6N5O6 and a molecular weight of 539.39 g/mol. Its IUPAC name is 2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID117072855
Molecular FormulaC20H19F6N5O6
Molecular Weight539.39 g/mol
Exact Mass539.12
IUPAC Name2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESC[C@H](CN)Oc1ncccc1C(=O)Nc1ccc2[nH]ncc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H17N5O2.2C2HF3O2/c1-10(8-17)23-16-13(3-2-6-18-16)15(22)20-12-4-5-14-11(7-12)9-19-21-14;2*3-2(4,5)1(6)7/h2-7,9-10H,8,17H2,1H3,(H,19,21)(H,20,22);2*(H,6,7)/t10-;;/m1../s1
InChIKeyRKJAEBMEZFSPJY-YQFADDPSSA-N
XLogP3.20
TPSA180.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.39
LogP ≤ 53.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 117072855) is 2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is C[C@H](CN)Oc1ncccc1C(=O)Nc1ccc2[nH]ncc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is RKJAEBMEZFSPJY-YQFADDPSSA-N. The full InChI is InChI=1S/C16H17N5O2.2C2HF3O2/c1-10(8-17)23-16-13(3-2-6-18-16)15(22)20-12-4-5-14-11(7-12)9-19-21-14;2*3-2(4,5)1(6)7/h2-7,9-10H,8,17H2,1H3,(H,19,21)(H,20,22);2*(H,6,7)/t10-;;/m1../s1.
What are the key properties of 2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 539.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-aminopropan-2-yl]oxy-N-(1H-indazol-5-yl)pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 117072855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).