4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid

C23H21ClFN7O2 — CID 58835252

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCN(C)CCNc1ccc2c(Nc3ccncc3C(=O)O)nc(-c3cc(Cl)ccc3F)nc2n1
InChIInChI=1S/C23H21ClFN7O2/c1-32(2)10-9-27-19-6-4-14-20(28-18-7-8-26-12-16(18)23(33)34)30-22(31-21(14)29-19)15-11-13(24)3-5-17(15)25/h3-8,11-12H,9-10H2,1-2H3,(H,33,34)(H2,26,27,28,29,30,31)
InChIKeyQCWRPLYOTKRKBA-UHFFFAOYSA-N
MW481.92 g/mol
LogP4.29
Rot. Bonds8

About 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid

4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid (PubChem CID 58835252) has the molecular formula C23H21ClFN7O2 and a molecular weight of 481.92 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
PubChem CID58835252
Molecular FormulaC23H21ClFN7O2
Molecular Weight481.92 g/mol
Exact Mass481.14
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCN(C)CCNc1ccc2c(Nc3ccncc3C(=O)O)nc(-c3cc(Cl)ccc3F)nc2n1
InChIInChI=1S/C23H21ClFN7O2/c1-32(2)10-9-27-19-6-4-14-20(28-18-7-8-26-12-16(18)23(33)34)30-22(31-21(14)29-19)15-11-13(24)3-5-17(15)25/h3-8,11-12H,9-10H2,1-2H3,(H,33,34)(H2,26,27,28,29,30,31)
InChIKeyQCWRPLYOTKRKBA-UHFFFAOYSA-N
XLogP4.29
TPSA116.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.92
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid (CID 58835252) is 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid is CN(C)CCNc1ccc2c(Nc3ccncc3C(=O)O)nc(-c3cc(Cl)ccc3F)nc2n1.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is QCWRPLYOTKRKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN7O2/c1-32(2)10-9-27-19-6-4-14-20(28-18-7-8-26-12-16(18)23(33)34)30-22(31-21(14)29-19)15-11-13(24)3-5-17(15)25/h3-8,11-12H,9-10H2,1-2H3,(H,33,34)(H2,26,27,28,29,30,31).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 481.92 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 58835252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).