4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid

C19H11ClFN5O2 — CID 11856489

IUPAC4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C19H11ClFN5O2/c20-10-3-4-14(21)12(8-10)18-25-16-11(2-1-6-23-16)17(26-18)24-15-5-7-22-9-13(15)19(27)28/h1-9H,(H,27,28)(H,22,23,24,25,26)
InChIKeyUKHXYNOXEIDKMN-UHFFFAOYSA-N
MW395.78 g/mol
LogP4.32
Rot. Bonds4

About 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid

4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid (PubChem CID 11856489) has the molecular formula C19H11ClFN5O2 and a molecular weight of 395.78 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
PubChem CID11856489
Molecular FormulaC19H11ClFN5O2
Molecular Weight395.78 g/mol
Exact Mass395.06
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C19H11ClFN5O2/c20-10-3-4-14(21)12(8-10)18-25-16-11(2-1-6-23-16)17(26-18)24-15-5-7-22-9-13(15)19(27)28/h1-9H,(H,27,28)(H,22,23,24,25,26)
InChIKeyUKHXYNOXEIDKMN-UHFFFAOYSA-N
XLogP4.32
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.78
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid (CID 11856489) is 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid is O=C(O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is UKHXYNOXEIDKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN5O2/c20-10-3-4-14(21)12(8-10)18-25-16-11(2-1-6-23-16)17(26-18)24-15-5-7-22-9-13(15)19(27)28/h1-9H,(H,27,28)(H,22,23,24,25,26).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 395.78 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11856489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).