10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one

C18H22N4O2 — CID 138546502

IUPAC10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one
SMILESCCOc1cccc2nn3c(C4CCN(C)CC4)cc(=O)[nH]c3c12
InChIInChI=1S/C18H22N4O2/c1-3-24-15-6-4-5-13-17(15)18-19-16(23)11-14(22(18)20-13)12-7-9-21(2)10-8-12/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,23)
InChIKeyAZGVIOYLVZPLLG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.38
Rot. Bonds3

About 10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one

10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 138546502) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID138546502
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one
SMILESCCOc1cccc2nn3c(C4CCN(C)CC4)cc(=O)[nH]c3c12
InChIInChI=1S/C18H22N4O2/c1-3-24-15-6-4-5-13-17(15)18-19-16(23)11-14(22(18)20-13)12-7-9-21(2)10-8-12/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,23)
InChIKeyAZGVIOYLVZPLLG-UHFFFAOYSA-N
XLogP2.38
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-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-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
CID 136954027
4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid
CID 136954066
4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid
CID 136954043
4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one
CID 136954169
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)propanamide
CID 137066358
10-ethynyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 155544193
4-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
CID 141446586
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)butanamide
CID 137066480
tert-butyl 4-[10-(dimethylcarbamoyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137066334
10-(2,6-difluorophenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;ethane
CID 144841590
10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 137053840
tert-butyl 4-[10-[(4-fluorophenyl)methylcarbamoyl]-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137053888

Frequently Asked Questions

What is the IUPAC name of 10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one (CID 138546502) is 10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one is CCOc1cccc2nn3c(C4CCN(C)CC4)cc(=O)[nH]c3c12.
What is the InChIKey of 10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is AZGVIOYLVZPLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-24-15-6-4-5-13-17(15)18-19-16(23)11-14(22(18)20-13)12-7-9-21(2)10-8-12/h4-6,11-12H,3,7-10H2,1-2H3,(H,19,23).
What are the key properties of 10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one?
10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 138546502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).