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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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).