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

C21H22N4O2 — CID 126795027

IUPACN-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCCc1cccc(Oc2ccc(NC(=O)C3CCCc4[nH]ncc43)cn2)c1
InChIInChI=1S/C21H22N4O2/c1-2-14-5-3-6-16(11-14)27-20-10-9-15(12-22-20)24-21(26)17-7-4-8-19-18(17)13-23-25-19/h3,5-6,9-13,17H,2,4,7-8H2,1H3,(H,23,25)(H,24,26)
InChIKeySBTXXXPXCHLYFY-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.22
Rot. Bonds5

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

N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 126795027) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID126795027
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCCc1cccc(Oc2ccc(NC(=O)C3CCCc4[nH]ncc43)cn2)c1
InChIInChI=1S/C21H22N4O2/c1-2-14-5-3-6-16(11-14)27-20-10-9-15(12-22-20)24-21(26)17-7-4-8-19-18(17)13-23-25-19/h3,5-6,9-13,17H,2,4,7-8H2,1H3,(H,23,25)(H,24,26)
InChIKeySBTXXXPXCHLYFY-UHFFFAOYSA-N
XLogP4.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide with MolForge

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Related Compounds

N-[6-(2-phenylethoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126789214
N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride
CID 119858521
(2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide
CID 120635226
(3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide
CID 94008813
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119858536
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119858535
3-[6-(3-ethylphenoxy)-3-pyridinyl]-1-(2-methoxyethyl)-1-methylurea
CID 60543128
(2R)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-oxopiperidine-2-carboxamide
CID 146129653
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126766189
4-(aminomethyl)-N-[6-(3-ethylphenoxy)-3-pyridinyl]oxane-4-carboxamide;dihydrochloride
CID 120939703
1-[6-(3-ethylphenoxy)-3-pyridinyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea
CID 56556789
N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126783511

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 126795027) is N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is CCc1cccc(Oc2ccc(NC(=O)C3CCCc4[nH]ncc43)cn2)c1.
What is the InChIKey of N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is SBTXXXPXCHLYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-14-5-3-6-16(11-14)27-20-10-9-15(12-22-20)24-21(26)17-7-4-8-19-18(17)13-23-25-19/h3,5-6,9-13,17H,2,4,7-8H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 126795027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).