1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one

C18H22N6O2 — CID 123855101

IUPAC1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one
SMILESCCN1CCN(c2cc(-c3n[nH]c4c3CC(OC)C=C4)ncn2)CC1=O
InChIInChI=1S/C18H22N6O2/c1-3-23-6-7-24(10-17(23)25)16-9-15(19-11-20-16)18-13-8-12(26-2)4-5-14(13)21-22-18/h4-5,9,11-12H,3,6-8,10H2,1-2H3,(H,21,22)
InChIKeyHCNLEYGRHOYIGC-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.12
Rot. Bonds4

About 1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one

1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one (PubChem CID 123855101) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one
PubChem CID123855101
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one
SMILESCCN1CCN(c2cc(-c3n[nH]c4c3CC(OC)C=C4)ncn2)CC1=O
InChIInChI=1S/C18H22N6O2/c1-3-23-6-7-24(10-17(23)25)16-9-15(19-11-20-16)18-13-8-12(26-2)4-5-14(13)21-22-18/h4-5,9,11-12H,3,6-8,10H2,1-2H3,(H,21,22)
InChIKeyHCNLEYGRHOYIGC-UHFFFAOYSA-N
XLogP1.12
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]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-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine
CID 123586119
1-ethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one
CID 149010035
1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 39834353
4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one
CID 90398510
1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one
CID 117013590
3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole
CID 165138004
1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 155974547
4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464582
1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
CID 166231873
(3S)-1-ethyl-3-[4-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 7348191
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 90516890

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one (CID 123855101) is 1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one is CCN1CCN(c2cc(-c3n[nH]c4c3CC(OC)C=C4)ncn2)CC1=O.
What is the InChIKey of 1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one?
The InChIKey is HCNLEYGRHOYIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-3-23-6-7-24(10-17(23)25)16-9-15(19-11-20-16)18-13-8-12(26-2)4-5-14(13)21-22-18/h4-5,9,11-12H,3,6-8,10H2,1-2H3,(H,21,22).
What are the key properties of 1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one?
1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 123855101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).