N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C21H22N4O2 — CID 126789214

IUPACN-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(Nc1ccc(OCCc2ccccc2)nc1)C1CCCc2[nH]ncc21
InChIInChI=1S/C21H22N4O2/c26-21(17-7-4-8-19-18(17)14-23-25-19)24-16-9-10-20(22-13-16)27-12-11-15-5-2-1-3-6-15/h1-3,5-6,9-10,13-14,17H,4,7-8,11-12H2,(H,23,25)(H,24,26)
InChIKeyQNCYVZLJQJGEBX-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.48
Rot. Bonds6

About N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 126789214) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID126789214
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(Nc1ccc(OCCc2ccccc2)nc1)C1CCCc2[nH]ncc21
InChIInChI=1S/C21H22N4O2/c26-21(17-7-4-8-19-18(17)14-23-25-19)24-16-9-10-20(22-13-16)27-12-11-15-5-2-1-3-6-15/h1-3,5-6,9-10,13-14,17H,4,7-8,11-12H2,(H,23,25)(H,24,26)
InChIKeyQNCYVZLJQJGEBX-UHFFFAOYSA-N
XLogP3.48
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795027
trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 124731840
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126766189
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126781231
N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795440
4-ethoxy-N-[6-(2-phenylethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 126792921
N-[4-(2-phenylethoxy)phenyl]cyclopropanecarboxamide
CID 15943236
1,1-dimethyl-3-[6-(3-phenylpropoxy)-3-pyridinyl]urea
CID 13023118
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55150610
N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126783511
(4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 99782658

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 126789214) is N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is O=C(Nc1ccc(OCCc2ccccc2)nc1)C1CCCc2[nH]ncc21.
What is the InChIKey of N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is QNCYVZLJQJGEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(17-7-4-8-19-18(17)14-23-25-19)24-16-9-10-20(22-13-16)27-12-11-15-5-2-1-3-6-15/h1-3,5-6,9-10,13-14,17H,4,7-8,11-12H2,(H,23,25)(H,24,26).
What are the key properties of N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 126789214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).