6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C29H26ClN7O2 — CID 51354802

IUPAC6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3ncccn3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21
InChIInChI=1S/C29H26ClN7O2/c1-2-37-27-20(14-23(28(37)38)22-9-6-19(15-24(22)30)26-32-10-3-11-33-26)16-34-29(36-27)35-21-7-4-18(5-8-21)25-17-31-12-13-39-25/h3-11,14-16,25,31H,2,12-13,17H2,1H3,(H,34,35,36)
InChIKeyILZOZFBGZJIHBW-UHFFFAOYSA-N
MW540.03 g/mol
LogP4.99
Rot. Bonds6

About 6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 51354802) has the molecular formula C29H26ClN7O2 and a molecular weight of 540.03 g/mol. Its IUPAC name is 6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID51354802
Molecular FormulaC29H26ClN7O2
Molecular Weight540.03 g/mol
Exact Mass539.18
IUPAC Name6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3ncccn3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21
InChIInChI=1S/C29H26ClN7O2/c1-2-37-27-20(14-23(28(37)38)22-9-6-19(15-24(22)30)26-32-10-3-11-33-26)16-34-29(36-27)35-21-7-4-18(5-8-21)25-17-31-12-13-39-25/h3-11,14-16,25,31H,2,12-13,17H2,1H3,(H,34,35,36)
InChIKeyILZOZFBGZJIHBW-UHFFFAOYSA-N
XLogP4.99
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.03
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 51354802) is 6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3ncccn3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.
What is the InChIKey of 6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ILZOZFBGZJIHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN7O2/c1-2-37-27-20(14-23(28(37)38)22-9-6-19(15-24(22)30)26-32-10-3-11-33-26)16-34-29(36-27)35-21-7-4-18(5-8-21)25-17-31-12-13-39-25/h3-11,14-16,25,31H,2,12-13,17H2,1H3,(H,34,35,36).
What are the key properties of 6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 540.03 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-pyrimidin-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 51354802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).