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

C19H22N4O4 — CID 136954066

IUPAC4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid
SMILESCCOc1cccc2nn3c(C4CCN(C(=O)O)C(C)C4)cc(=O)[nH]c3c12
InChIInChI=1S/C19H22N4O4/c1-3-27-15-6-4-5-13-17(15)18-20-16(24)10-14(23(18)21-13)12-7-8-22(19(25)26)11(2)9-12/h4-6,10-12H,3,7-9H2,1-2H3,(H,20,24)(H,25,26)
InChIKeyVKKVSZLYRVFLTQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.82
Rot. Bonds3

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

4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid (PubChem CID 136954066) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid
PubChem CID136954066
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid
SMILESCCOc1cccc2nn3c(C4CCN(C(=O)O)C(C)C4)cc(=O)[nH]c3c12
InChIInChI=1S/C19H22N4O4/c1-3-27-15-6-4-5-13-17(15)18-20-16(24)10-14(23(18)21-13)12-7-8-22(19(25)26)11(2)9-12/h4-6,10-12H,3,7-9H2,1-2H3,(H,20,24)(H,25,26)
InChIKeyVKKVSZLYRVFLTQ-UHFFFAOYSA-N
XLogP2.82
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
CID 136954027
10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one
CID 138546502
4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid
CID 136954043
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
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
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
N-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)butanamide
CID 137066480
10-(4-hydroxy-2-oxopiperidin-1-yl)-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one;hydrochloride
CID 137053840
1-[3-(dimethylamino)propyl]-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066414
tert-butyl 4-[2-oxo-10-(pyridine-2-carbonylamino)-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137053819
tert-butyl 4-[10-(cyclohexylcarbamoylamino)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylate
CID 137066394

Frequently Asked Questions

What is the IUPAC name of 4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid (CID 136954066) is 4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid is CCOc1cccc2nn3c(C4CCN(C(=O)O)C(C)C4)cc(=O)[nH]c3c12.
What is the InChIKey of 4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid?
The InChIKey is VKKVSZLYRVFLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-3-27-15-6-4-5-13-17(15)18-20-16(24)10-14(23(18)21-13)12-7-8-22(19(25)26)11(2)9-12/h4-6,10-12H,3,7-9H2,1-2H3,(H,20,24)(H,25,26).
What are the key properties of 4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid?
4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 136954066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).