[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol

C23H20ClFN6O3 — CID 118966396

IUPAC[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)c1cc(-c2ncnc3cc(N4CCOCC4)cnc23)c(F)cc1Cl
InChIInChI=1S/C23H20ClFN6O3/c1-33-23-21(26-2-3-27-23)22(32)14-9-15(17(25)10-16(14)24)19-20-18(29-12-30-19)8-13(11-28-20)31-4-6-34-7-5-31/h2-3,8-12,22,32H,4-7H2,1H3
InChIKeyRRCYTFPMQJMLJV-UHFFFAOYSA-N
MW482.90 g/mol
LogP3.20
Rot. Bonds5

About [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol

[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol (PubChem CID 118966396) has the molecular formula C23H20ClFN6O3 and a molecular weight of 482.90 g/mol. Its IUPAC name is [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol
PubChem CID118966396
Molecular FormulaC23H20ClFN6O3
Molecular Weight482.90 g/mol
Exact Mass482.13
IUPAC Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)c1cc(-c2ncnc3cc(N4CCOCC4)cnc23)c(F)cc1Cl
InChIInChI=1S/C23H20ClFN6O3/c1-33-23-21(26-2-3-27-23)22(32)14-9-15(17(25)10-16(14)24)19-20-18(29-12-30-19)8-13(11-28-20)31-4-6-34-7-5-31/h2-3,8-12,22,32H,4-7H2,1H3
InChIKeyRRCYTFPMQJMLJV-UHFFFAOYSA-N
XLogP3.20
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.90
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol?
The IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol (CID 118966396) is [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol.
What is the SMILES notation for [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol?
The canonical SMILES for [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol is COc1nccnc1C(O)c1cc(-c2ncnc3cc(N4CCOCC4)cnc23)c(F)cc1Cl.
What is the InChIKey of [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol?
The InChIKey is RRCYTFPMQJMLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O3/c1-33-23-21(26-2-3-27-23)22(32)14-9-15(17(25)10-16(14)24)19-20-18(29-12-30-19)8-13(11-28-20)31-4-6-34-7-5-31/h2-3,8-12,22,32H,4-7H2,1H3.
What are the key properties of [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol?
[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol has a molecular weight of 482.90 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methoxypyrazin-2-yl)methanol is sourced from PubChem (CID 118966396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).