4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid

C16H15FN4O3 — CID 136953981

IUPAC4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cc(=O)[nH]c3c4cccc(F)c4nn23)CC1
InChIInChI=1S/C16H15FN4O3/c17-11-3-1-2-10-14(11)19-21-12(8-13(22)18-15(10)21)9-4-6-20(7-5-9)16(23)24/h1-3,8-9H,4-7H2,(H,18,22)(H,23,24)
InChIKeyPPCQHULJQWSBCY-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.17
Rot. Bonds1

About 4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid

4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid (PubChem CID 136953981) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is 4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
PubChem CID136953981
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Name4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cc(=O)[nH]c3c4cccc(F)c4nn23)CC1
InChIInChI=1S/C16H15FN4O3/c17-11-3-1-2-10-14(11)19-21-12(8-13(22)18-15(10)21)9-4-6-20(7-5-9)16(23)24/h1-3,8-9H,4-7H2,(H,18,22)(H,23,24)
InChIKeyPPCQHULJQWSBCY-UHFFFAOYSA-N
XLogP2.17
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

AS1940477
CID 136173253
6-[2-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226812
6-[(6S)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226813
4-methylpyrimido[1,2-b]indazol-2(6H)-one
CID 135460475
9-fluoro-10-phenyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 136962569
1-tert-butyl-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137053856
10-ethynyl-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-2-one
CID 155544193
1-(1-Methylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 153623240
N-(3-fluoro-2-methylphenyl)-4-(4-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)tetrahydro-1(2H)-pyridinecarboxamide
CID 53146894
6-(2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo(1,5-a)pyrimidin-3-yl)-2-(2-methylphenyl)pyridazin-3(2H)-one
CID 135975112
3-(1-acetylpiperidin-4-yl)-N-(4-fluoro-1H-indazol-3-yl)propanamide
CID 126777817
ethyl 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]indazole-1-carboxylate
CID 58926859

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid (CID 136953981) is 4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2cc(=O)[nH]c3c4cccc(F)c4nn23)CC1.
What is the InChIKey of 4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid?
The InChIKey is PPCQHULJQWSBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c17-11-3-1-2-10-14(11)19-21-12(8-13(22)18-15(10)21)9-4-6-20(7-5-9)16(23)24/h1-3,8-9H,4-7H2,(H,18,22)(H,23,24).
What are the key properties of 4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid?
4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid has a molecular weight of 330.32 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 136953981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).