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

C23H20ClFN6O2 — CID 118966397

IUPAC[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol
SMILESCc1nccnc1C(O)c1cc(-c2ncnc3cc(N4CCOCC4)cnc23)c(F)cc1Cl
InChIInChI=1S/C23H20ClFN6O2/c1-13-20(27-3-2-26-13)23(32)15-9-16(18(25)10-17(15)24)21-22-19(29-12-30-21)8-14(11-28-22)31-4-6-33-7-5-31/h2-3,8-12,23,32H,4-7H2,1H3
InChIKeyBAUZLLBZQGLKDX-UHFFFAOYSA-N
MW466.90 g/mol
LogP3.50
Rot. Bonds4

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

[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol (PubChem CID 118966397) has the molecular formula C23H20ClFN6O2 and a molecular weight of 466.90 g/mol. Its IUPAC name is [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol.

Molecular Properties

Compound Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol
PubChem CID118966397
Molecular FormulaC23H20ClFN6O2
Molecular Weight466.90 g/mol
Exact Mass466.13
IUPAC Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol
SMILESCc1nccnc1C(O)c1cc(-c2ncnc3cc(N4CCOCC4)cnc23)c(F)cc1Cl
InChIInChI=1S/C23H20ClFN6O2/c1-13-20(27-3-2-26-13)23(32)15-9-16(18(25)10-17(15)24)21-22-19(29-12-30-21)8-14(11-28-22)31-4-6-33-7-5-31/h2-3,8-12,23,32H,4-7H2,1H3
InChIKeyBAUZLLBZQGLKDX-UHFFFAOYSA-N
XLogP3.50
TPSA97.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-methylpyrazin-2-yl)methanol?
The IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol (CID 118966397) is [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-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-methylpyrazin-2-yl)methanol?
The canonical SMILES for [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol is Cc1nccnc1C(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-methylpyrazin-2-yl)methanol?
The InChIKey is BAUZLLBZQGLKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O2/c1-13-20(27-3-2-26-13)23(32)15-9-16(18(25)10-17(15)24)21-22-19(29-12-30-21)8-14(11-28-22)31-4-6-33-7-5-31/h2-3,8-12,23,32H,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-methylpyrazin-2-yl)methanol?
[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol has a molecular weight of 466.90 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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-methylpyrazin-2-yl)methanol is sourced from PubChem (CID 118966397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).