4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid

C24H24N4O4 — CID 136954043

IUPAC4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid
SMILESCCOc1ccccc1-c1cccc2nn3c(C4CCN(C(=O)O)CC4)cc(=O)[nH]c3c12
InChIInChI=1S/C24H24N4O4/c1-2-32-20-9-4-3-6-16(20)17-7-5-8-18-22(17)23-25-21(29)14-19(28(23)26-18)15-10-12-27(13-11-15)24(30)31/h3-9,14-15H,2,10-13H2,1H3,(H,25,29)(H,30,31)
InChIKeyFRGLJFRAJDBFSD-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.10
Rot. Bonds4

About 4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid

4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid (PubChem CID 136954043) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid
PubChem CID136954043
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid
SMILESCCOc1ccccc1-c1cccc2nn3c(C4CCN(C(=O)O)CC4)cc(=O)[nH]c3c12
InChIInChI=1S/C24H24N4O4/c1-2-32-20-9-4-3-6-16(20)17-7-5-8-18-22(17)23-25-21(29)14-19(28(23)26-18)15-10-12-27(13-11-15)24(30)31/h3-9,14-15H,2,10-13H2,1H3,(H,25,29)(H,30,31)
InChIKeyFRGLJFRAJDBFSD-UHFFFAOYSA-N
XLogP4.10
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid with MolForge

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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-(2-oxo-10-pyridin-2-yl-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
CID 141446586
4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid
CID 136954066
10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one
CID 138546502
4-(1-acetylpiperidin-4-yl)-10-(2-methylphenyl)-1H-pyrimido[1,2-b]indazol-2-one
CID 136954169
4-(10-chloro-8-methyl-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
CID 136954064
4-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxo-1H-pyrimido[1,2-b]indazol-10-yl]carbamoyl]piperazine-1-carboxylic acid
CID 137054001
4-[10-[3-(dimethylamino)propylcarbamoylamino]-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 137053961
10-(4-methylphenyl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 147017418
tert-butyl 4-[10-(dimethylcarbamoyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137066334
tert-butyl 4-(2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylate
CID 136962861
tert-butyl 4-[2-oxo-10-(pyridine-2-carbonylamino)-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137053819

Frequently Asked Questions

What is the IUPAC name of 4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid (CID 136954043) is 4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid is CCOc1ccccc1-c1cccc2nn3c(C4CCN(C(=O)O)CC4)cc(=O)[nH]c3c12.
What is the InChIKey of 4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid?
The InChIKey is FRGLJFRAJDBFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-2-32-20-9-4-3-6-16(20)17-7-5-8-18-22(17)23-25-21(29)14-19(28(23)26-18)15-10-12-27(13-11-15)24(30)31/h3-9,14-15H,2,10-13H2,1H3,(H,25,29)(H,30,31).
What are the key properties of 4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid?
4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid has a molecular weight of 432.48 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 136954043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).