[5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane

C21H25ClN4O3 — CID 144519586

IUPAC[5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane
SMILESCC.COc1ccc(-c2ccc3c(N4CCOCC4)nc(Cl)nc3n2)cc1CO
InChIInChI=1S/C19H19ClN4O3.C2H6/c1-26-16-5-2-12(10-13(16)11-25)15-4-3-14-17(21-15)22-19(20)23-18(14)24-6-8-27-9-7-24;1-2/h2-5,10,25H,6-9,11H2,1H3;1-2H3
InChIKeyOAJUPGGXHUYUDU-UHFFFAOYSA-N
MW416.91 g/mol
LogP3.71
Rot. Bonds4

About [5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane

[5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane (PubChem CID 144519586) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is [5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane.

Molecular Properties

Compound Name[5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane
PubChem CID144519586
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC Name[5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane
SMILESCC.COc1ccc(-c2ccc3c(N4CCOCC4)nc(Cl)nc3n2)cc1CO
InChIInChI=1S/C19H19ClN4O3.C2H6/c1-26-16-5-2-12(10-13(16)11-25)15-4-3-14-17(21-15)22-19(20)23-18(14)24-6-8-27-9-7-24;1-2/h2-5,10,25H,6-9,11H2,1H3;1-2H3
InChIKeyOAJUPGGXHUYUDU-UHFFFAOYSA-N
XLogP3.71
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(2-tert-butyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol
CID 144519570
[5-[2-(aminomethyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
CID 71250855
[2-methoxy-5-[2-[(3R)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 146626004
[2-methoxy-5-[2-(3-methoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 16737936
[2-methoxy-5-[4-morpholin-4-yl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 71731490
[5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)phenyl]methanol
CID 144519551
[5-[5-chloro-7-[(3S)-3-methylmorpholin-4-yl]-1,8-naphthyridin-2-yl]-2-methoxyphenyl]methanol
CID 126601800
[2-methoxy-5-[2-(methylamino)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 24999109
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 24999738
(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol
CID 71299202
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-(oxan-4-yloxy)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 71493789
[2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol
CID 25002020

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane?
The IUPAC name of [5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane (CID 144519586) is [5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane.
What is the SMILES notation for [5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane?
The canonical SMILES for [5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane is CC.COc1ccc(-c2ccc3c(N4CCOCC4)nc(Cl)nc3n2)cc1CO.
What is the InChIKey of [5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane?
The InChIKey is OAJUPGGXHUYUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3.C2H6/c1-26-16-5-2-12(10-13(16)11-25)15-4-3-14-17(21-15)22-19(20)23-18(14)24-6-8-27-9-7-24;1-2/h2-5,10,25H,6-9,11H2,1H3;1-2H3.
What are the key properties of [5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane?
[5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane has a molecular weight of 416.91 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane is sourced from PubChem (CID 144519586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).