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

C21H22F3N5O4 — CID 117072928

IUPACN-(1H-indazol-5-yl)-4-(1-methylpiperidin-3-yl)oxypyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CCCC(Oc2ccnc(C(=O)Nc3ccc4[nH]ncc4c3)c2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N5O2.C2HF3O2/c1-24-8-2-3-16(12-24)26-15-6-7-20-18(10-15)19(25)22-14-4-5-17-13(9-14)11-21-23-17;3-2(4,5)1(6)7/h4-7,9-11,16H,2-3,8,12H2,1H3,(H,21,23)(H,22,25);(H,6,7)
InChIKeyPWUPMQLERNLHJC-UHFFFAOYSA-N
MW465.43 g/mol
LogP3.32
Rot. Bonds4

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

N-(1H-indazol-5-yl)-4-(1-methylpiperidin-3-yl)oxypyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 117072928) has the molecular formula C21H22F3N5O4 and a molecular weight of 465.43 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-4-(1-methylpiperidin-3-yl)oxypyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-4-(1-methylpiperidin-3-yl)oxypyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID117072928
Molecular FormulaC21H22F3N5O4
Molecular Weight465.43 g/mol
Exact Mass465.16
IUPAC NameN-(1H-indazol-5-yl)-4-(1-methylpiperidin-3-yl)oxypyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CCCC(Oc2ccnc(C(=O)Nc3ccc4[nH]ncc4c3)c2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N5O2.C2HF3O2/c1-24-8-2-3-16(12-24)26-15-6-7-20-18(10-15)19(25)22-14-4-5-17-13(9-14)11-21-23-17;3-2(4,5)1(6)7/h4-7,9-11,16H,2-3,8,12H2,1H3,(H,21,23)(H,22,25);(H,6,7)
InChIKeyPWUPMQLERNLHJC-UHFFFAOYSA-N
XLogP3.32
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.43
LogP ≤ 53.32
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)-4-(1-methylpiperidin-3-yl)oxypyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1H-indazol-5-yl)-4-(1-methylpiperidin-3-yl)oxypyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 117072928) is N-(1H-indazol-5-yl)-4-(1-methylpiperidin-3-yl)oxypyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1H-indazol-5-yl)-4-(1-methylpiperidin-3-yl)oxypyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1H-indazol-5-yl)-4-(1-methylpiperidin-3-yl)oxypyridine-2-carboxamide;2,2,2-trifluoroacetic acid is CN1CCCC(Oc2ccnc(C(=O)Nc3ccc4[nH]ncc4c3)c2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1H-indazol-5-yl)-4-(1-methylpiperidin-3-yl)oxypyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is PWUPMQLERNLHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2.C2HF3O2/c1-24-8-2-3-16(12-24)26-15-6-7-20-18(10-15)19(25)22-14-4-5-17-13(9-14)11-21-23-17;3-2(4,5)1(6)7/h4-7,9-11,16H,2-3,8,12H2,1H3,(H,21,23)(H,22,25);(H,6,7).
What are the key properties of N-(1H-indazol-5-yl)-4-(1-methylpiperidin-3-yl)oxypyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(1H-indazol-5-yl)-4-(1-methylpiperidin-3-yl)oxypyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 465.43 g/mol, XLogP of 3.32, 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)-4-(1-methylpiperidin-3-yl)oxypyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117072928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).