3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one

C26H27F2N5O4 — CID 122474610

IUPAC3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(-c3ccc(N4CCOCC4)nc3)cc21
InChIInChI=1S/C26H27F2N5O4/c1-4-32-19-11-18(16-5-6-22(30-13-16)31-7-9-37-10-8-31)29-14-17(19)15-33(26(32)34)25-23(27)20(35-2)12-21(36-3)24(25)28/h5-6,11-14H,4,7-10,15H2,1-3H3
InChIKeyWKCITBRGFPELQP-UHFFFAOYSA-N
MW511.53 g/mol
LogP4.24
Rot. Bonds6

About 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one

3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 122474610) has the molecular formula C26H27F2N5O4 and a molecular weight of 511.53 g/mol. Its IUPAC name is 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID122474610
Molecular FormulaC26H27F2N5O4
Molecular Weight511.53 g/mol
Exact Mass511.20
IUPAC Name3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(-c3ccc(N4CCOCC4)nc3)cc21
InChIInChI=1S/C26H27F2N5O4/c1-4-32-19-11-18(16-5-6-22(30-13-16)31-7-9-37-10-8-31)29-14-17(19)15-33(26(32)34)25-23(27)20(35-2)12-21(36-3)24(25)28/h5-6,11-14H,4,7-10,15H2,1-3H3
InChIKeyWKCITBRGFPELQP-UHFFFAOYSA-N
XLogP4.24
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one 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 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one (CID 122474610) is 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one is CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(-c3ccc(N4CCOCC4)nc3)cc21.
What is the InChIKey of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is WKCITBRGFPELQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O4/c1-4-32-19-11-18(16-5-6-22(30-13-16)31-7-9-37-10-8-31)29-14-17(19)15-33(26(32)34)25-23(27)20(35-2)12-21(36-3)24(25)28/h5-6,11-14H,4,7-10,15H2,1-3H3.
What are the key properties of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one?
3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 511.53 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-(6-morpholin-4-yl-3-pyridinyl)-4H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 122474610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).