4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid

C20H19FN6O3 — CID 121374249

IUPAC4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid
SMILESN#Cc1cc(N2C(=O)N(CC3CCN(C(=O)O)CC3)Cc3cc(F)cnc32)ccn1
InChIInChI=1S/C20H19FN6O3/c21-15-7-14-12-26(11-13-2-5-25(6-3-13)20(29)30)19(28)27(18(14)24-10-15)17-1-4-23-16(8-17)9-22/h1,4,7-8,10,13H,2-3,5-6,11-12H2,(H,29,30)
InChIKeyRXIIGYVJPMEXCB-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.95
Rot. Bonds3

About 4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid

4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid (PubChem CID 121374249) has the molecular formula C20H19FN6O3 and a molecular weight of 410.41 g/mol. Its IUPAC name is 4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid
PubChem CID121374249
Molecular FormulaC20H19FN6O3
Molecular Weight410.41 g/mol
Exact Mass410.15
IUPAC Name4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid
SMILESN#Cc1cc(N2C(=O)N(CC3CCN(C(=O)O)CC3)Cc3cc(F)cnc32)ccn1
InChIInChI=1S/C20H19FN6O3/c21-15-7-14-12-26(11-13-2-5-25(6-3-13)20(29)30)19(28)27(18(14)24-10-15)17-1-4-23-16(8-17)9-22/h1,4,7-8,10,13H,2-3,5-6,11-12H2,(H,29,30)
InChIKeyRXIIGYVJPMEXCB-UHFFFAOYSA-N
XLogP2.95
TPSA113.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid (CID 121374249) is 4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid is N#Cc1cc(N2C(=O)N(CC3CCN(C(=O)O)CC3)Cc3cc(F)cnc32)ccn1.
What is the InChIKey of 4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid?
The InChIKey is RXIIGYVJPMEXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O3/c21-15-7-14-12-26(11-13-2-5-25(6-3-13)20(29)30)19(28)27(18(14)24-10-15)17-1-4-23-16(8-17)9-22/h1,4,7-8,10,13H,2-3,5-6,11-12H2,(H,29,30).
What are the key properties of 4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid?
4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid has a molecular weight of 410.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-cyano-4-pyridinyl)-6-fluoro-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 121374249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).