1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one

C21H23N5O3 — CID 163613557

IUPAC1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one
SMILESCN1CCN(c2cc(-c3nn(C)c4ccc(OC5COC5)cc34)ccn2)CC1=O
InChIInChI=1S/C21H23N5O3/c1-24-7-8-26(11-20(24)27)19-9-14(5-6-22-19)21-17-10-15(29-16-12-28-13-16)3-4-18(17)25(2)23-21/h3-6,9-10,16H,7-8,11-13H2,1-2H3
InChIKeyHHZUREWHKZJLRD-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.69
Rot. Bonds4

About 1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one

1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one (PubChem CID 163613557) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one
PubChem CID163613557
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one
SMILESCN1CCN(c2cc(-c3nn(C)c4ccc(OC5COC5)cc34)ccn2)CC1=O
InChIInChI=1S/C21H23N5O3/c1-24-7-8-26(11-20(24)27)19-9-14(5-6-22-19)21-17-10-15(29-16-12-28-13-16)3-4-18(17)25(2)23-21/h3-6,9-10,16H,7-8,11-13H2,1-2H3
InChIKeyHHZUREWHKZJLRD-UHFFFAOYSA-N
XLogP1.69
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one
CID 90400966
1-methyl-4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]piperazin-2-one
CID 90400794
5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one
CID 90391087
5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 78321211
7-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane
CID 78324051
5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(oxan-2-yl)indazol-5-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166727900
4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one
CID 90400815
1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one
CID 71253759
1-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperazin-2-one
CID 71253757
3-(2-morpholin-4-yl-4-pyridinyl)-1,6-dihydropyrazolo[3,4-c]pyridin-5-one
CID 144795365
ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate
CID 90400955
4-[6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464354

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one (CID 163613557) is 1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one is CN1CCN(c2cc(-c3nn(C)c4ccc(OC5COC5)cc34)ccn2)CC1=O.
What is the InChIKey of 1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one?
The InChIKey is HHZUREWHKZJLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-24-7-8-26(11-20(24)27)19-9-14(5-6-22-19)21-17-10-15(29-16-12-28-13-16)3-4-18(17)25(2)23-21/h3-6,9-10,16H,7-8,11-13H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one?
1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one has a molecular weight of 393.45 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one is sourced from PubChem (CID 163613557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).