6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one

C24H23ClFN5O3 — CID 24936300

IUPAC6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
SMILESCOn1c(=O)c(-c2c(F)cccc2Cl)cc2cnc(Nc3ccc(OCCN(C)C)cc3)nc21
InChIInChI=1S/C24H23ClFN5O3/c1-30(2)11-12-34-17-9-7-16(8-10-17)28-24-27-14-15-13-18(21-19(25)5-4-6-20(21)26)23(32)31(33-3)22(15)29-24/h4-10,13-14H,11-12H2,1-3H3,(H,27,28,29)
InChIKeyLJZAGHSDSICKGX-UHFFFAOYSA-N
MW483.93 g/mol
LogP3.99
Rot. Bonds8

About 6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one (PubChem CID 24936300) has the molecular formula C24H23ClFN5O3 and a molecular weight of 483.93 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
PubChem CID24936300
Molecular FormulaC24H23ClFN5O3
Molecular Weight483.93 g/mol
Exact Mass483.15
IUPAC Name6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
SMILESCOn1c(=O)c(-c2c(F)cccc2Cl)cc2cnc(Nc3ccc(OCCN(C)C)cc3)nc21
InChIInChI=1S/C24H23ClFN5O3/c1-30(2)11-12-34-17-9-7-16(8-10-17)28-24-27-14-15-13-18(21-19(25)5-4-6-20(21)26)23(32)31(33-3)22(15)29-24/h4-10,13-14H,11-12H2,1-3H3,(H,27,28,29)
InChIKeyLJZAGHSDSICKGX-UHFFFAOYSA-N
XLogP3.99
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.93
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one (CID 24936300) is 6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one is COn1c(=O)c(-c2c(F)cccc2Cl)cc2cnc(Nc3ccc(OCCN(C)C)cc3)nc21.
What is the InChIKey of 6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LJZAGHSDSICKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O3/c1-30(2)11-12-34-17-9-7-16(8-10-17)28-24-27-14-15-13-18(21-19(25)5-4-6-20(21)26)23(32)31(33-3)22(15)29-24/h4-10,13-14H,11-12H2,1-3H3,(H,27,28,29).
What are the key properties of 6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one has a molecular weight of 483.93 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluorophenyl)-2-[4-[2-(dimethylamino)ethoxy]anilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 24936300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).