[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol

C23H20ClFN6O3 — CID 118966394

IUPAC[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)cnc34)c(F)cc2Cl)nn1
InChIInChI=1S/C23H20ClFN6O3/c1-33-20-3-2-18(29-30-20)23(32)14-9-15(17(25)10-16(14)24)21-22-19(27-12-28-21)8-13(11-26-22)31-4-6-34-7-5-31/h2-3,8-12,23,32H,4-7H2,1H3
InChIKeyNGZQOMGGFCGYBY-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]-(6-methoxypyridazin-3-yl)methanol

[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol (PubChem CID 118966394) 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]-(6-methoxypyridazin-3-yl)methanol.

Molecular Properties

Compound Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
PubChem CID118966394
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]-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)cnc34)c(F)cc2Cl)nn1
InChIInChI=1S/C23H20ClFN6O3/c1-33-20-3-2-18(29-30-20)23(32)14-9-15(17(25)10-16(14)24)21-22-19(27-12-28-21)8-13(11-26-22)31-4-6-34-7-5-31/h2-3,8-12,23,32H,4-7H2,1H3
InChIKeyNGZQOMGGFCGYBY-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]-(6-methoxypyridazin-3-yl)methanol?
The IUPAC name of [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol (CID 118966394) is [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol.
What is the SMILES notation for [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol?
The canonical SMILES for [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol is COc1ccc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)cnc34)c(F)cc2Cl)nn1.
What is the InChIKey of [2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol?
The InChIKey is NGZQOMGGFCGYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O3/c1-33-20-3-2-18(29-30-20)23(32)14-9-15(17(25)10-16(14)24)21-22-19(27-12-28-21)8-13(11-26-22)31-4-6-34-7-5-31/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]-(6-methoxypyridazin-3-yl)methanol?
[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)phenyl]-(6-methoxypyridazin-3-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]-(6-methoxypyridazin-3-yl)methanol is sourced from PubChem (CID 118966394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).