[2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

C26H26N4O4 — CID 16737936

IUPAC[2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCOc1cccc(-c2nc(N3CCOCC3)c3ccc(-c4ccc(OC)c(CO)c4)nc3n2)c1
InChIInChI=1S/C26H26N4O4/c1-32-20-5-3-4-18(15-20)24-28-25-21(26(29-24)30-10-12-34-13-11-30)7-8-22(27-25)17-6-9-23(33-2)19(14-17)16-31/h3-9,14-15,31H,10-13,16H2,1-2H3
InChIKeyMNEVVGXCGSHOPC-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.70
Rot. Bonds6

About [2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

[2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (PubChem CID 16737936) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is [2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
PubChem CID16737936
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name[2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
SMILESCOc1cccc(-c2nc(N3CCOCC3)c3ccc(-c4ccc(OC)c(CO)c4)nc3n2)c1
InChIInChI=1S/C26H26N4O4/c1-32-20-5-3-4-18(15-20)24-28-25-21(26(29-24)30-10-12-34-13-11-30)7-8-22(27-25)17-6-9-23(33-2)19(14-17)16-31/h3-9,14-15,31H,10-13,16H2,1-2H3
InChIKeyMNEVVGXCGSHOPC-UHFFFAOYSA-N
XLogP3.70
TPSA89.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The IUPAC name of [2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol (CID 16737936) is [2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol.
What is the SMILES notation for [2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The canonical SMILES for [2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is COc1cccc(-c2nc(N3CCOCC3)c3ccc(-c4ccc(OC)c(CO)c4)nc3n2)c1.
What is the InChIKey of [2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
The InChIKey is MNEVVGXCGSHOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-32-20-5-3-4-18(15-20)24-28-25-21(26(29-24)30-10-12-34-13-11-30)7-8-22(27-25)17-6-9-23(33-2)19(14-17)16-31/h3-9,14-15,31H,10-13,16H2,1-2H3.
What are the key properties of [2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol?
[2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol has a molecular weight of 458.52 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol is sourced from PubChem (CID 16737936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).