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

C23H21FN6O2 — CID 118954898

IUPAC(S)-[4-fluoro-3-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol
SMILESCc1nccnc1[C@@H](O)c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)cnc23)c1
InChIInChI=1S/C23H21FN6O2/c1-14-20(26-5-4-25-14)23(31)15-2-3-18(24)17(10-15)21-22-19(28-13-29-21)11-16(12-27-22)30-6-8-32-9-7-30/h2-5,10-13,23,31H,6-9H2,1H3/t23-/m0/s1
InChIKeyJJEXYMGNEIIEPL-QHCPKHFHSA-N
MW432.46 g/mol
LogP2.85
Rot. Bonds4

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

(S)-[4-fluoro-3-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol (PubChem CID 118954898) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is (S)-[4-fluoro-3-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol.

Molecular Properties

Compound Name(S)-[4-fluoro-3-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol
PubChem CID118954898
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name(S)-[4-fluoro-3-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol
SMILESCc1nccnc1[C@@H](O)c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)cnc23)c1
InChIInChI=1S/C23H21FN6O2/c1-14-20(26-5-4-25-14)23(31)15-2-3-18(24)17(10-15)21-22-19(28-13-29-21)11-16(12-27-22)30-6-8-32-9-7-30/h2-5,10-13,23,31H,6-9H2,1H3/t23-/m0/s1
InChIKeyJJEXYMGNEIIEPL-QHCPKHFHSA-N
XLogP2.85
TPSA97.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (S)-[4-fluoro-3-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol?
The IUPAC name of (S)-[4-fluoro-3-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol (CID 118954898) is (S)-[4-fluoro-3-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol.
What is the SMILES notation for (S)-[4-fluoro-3-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol?
The canonical SMILES for (S)-[4-fluoro-3-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol is Cc1nccnc1[C@@H](O)c1ccc(F)c(-c2ncnc3cc(N4CCOCC4)cnc23)c1.
What is the InChIKey of (S)-[4-fluoro-3-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol?
The InChIKey is JJEXYMGNEIIEPL-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-14-20(26-5-4-25-14)23(31)15-2-3-18(24)17(10-15)21-22-19(28-13-29-21)11-16(12-27-22)30-6-8-32-9-7-30/h2-5,10-13,23,31H,6-9H2,1H3/t23-/m0/s1.
What are the key properties of (S)-[4-fluoro-3-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol?
(S)-[4-fluoro-3-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol has a molecular weight of 432.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[4-fluoro-3-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(3-methylpyrazin-2-yl)methanol is sourced from PubChem (CID 118954898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).