6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione

C38H37F2N7O4 — CID 25173405

IUPAC6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1c2cc(F)cnc2n(-c2cccc(-c3ccc(O)cc3CN3CCOCC3)c2)c(=O)n1C1CCC(NCc2cn3cc(F)ccc3n2)CC1
InChIInChI=1S/C38H37F2N7O4/c39-26-4-11-35-43-29(23-45(35)22-26)20-41-28-5-7-30(8-6-28)47-37(49)34-18-27(40)19-42-36(34)46(38(47)50)31-3-1-2-24(16-31)33-10-9-32(48)17-25(33)21-44-12-14-51-15-13-44/h1-4,9-11,16-19,22-23,28,30,41,48H,5-8,12-15,20-21H2
InChIKeyGBRWFYVQSLTRSG-UHFFFAOYSA-N
MW693.76 g/mol
LogP4.95
Rot. Bonds8

About 6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione

6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 25173405) has the molecular formula C38H37F2N7O4 and a molecular weight of 693.76 g/mol. Its IUPAC name is 6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID25173405
Molecular FormulaC38H37F2N7O4
Molecular Weight693.76 g/mol
Exact Mass693.29
IUPAC Name6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1c2cc(F)cnc2n(-c2cccc(-c3ccc(O)cc3CN3CCOCC3)c2)c(=O)n1C1CCC(NCc2cn3cc(F)ccc3n2)CC1
InChIInChI=1S/C38H37F2N7O4/c39-26-4-11-35-43-29(23-45(35)22-26)20-41-28-5-7-30(8-6-28)47-37(49)34-18-27(40)19-42-36(34)46(38(47)50)31-3-1-2-24(16-31)33-10-9-32(48)17-25(33)21-44-12-14-51-15-13-44/h1-4,9-11,16-19,22-23,28,30,41,48H,5-8,12-15,20-21H2
InChIKeyGBRWFYVQSLTRSG-UHFFFAOYSA-N
XLogP4.95
TPSA118.92 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.76
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 25173405) is 6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione is O=c1c2cc(F)cnc2n(-c2cccc(-c3ccc(O)cc3CN3CCOCC3)c2)c(=O)n1C1CCC(NCc2cn3cc(F)ccc3n2)CC1.
What is the InChIKey of 6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GBRWFYVQSLTRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37F2N7O4/c39-26-4-11-35-43-29(23-45(35)22-26)20-41-28-5-7-30(8-6-28)47-37(49)34-18-27(40)19-42-36(34)46(38(47)50)31-3-1-2-24(16-31)33-10-9-32(48)17-25(33)21-44-12-14-51-15-13-44/h1-4,9-11,16-19,22-23,28,30,41,48H,5-8,12-15,20-21H2.
What are the key properties of 6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 693.76 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 25173405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).