[4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol

C21H18FN5O2S — CID 118954821

IUPAC[4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ncc34)c2)cs1
InChIInChI=1S/C21H18FN5O2S/c22-16-2-1-13(18-11-30-20(10-28)26-18)7-14(16)21-15-9-23-19(8-17(15)24-12-25-21)27-3-5-29-6-4-27/h1-2,7-9,11-12,28H,3-6,10H2
InChIKeyFUIUFWWAMFMEOR-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.28
Rot. Bonds4

About [4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol

[4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol (PubChem CID 118954821) has the molecular formula C21H18FN5O2S and a molecular weight of 423.47 g/mol. Its IUPAC name is [4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol
PubChem CID118954821
Molecular FormulaC21H18FN5O2S
Molecular Weight423.47 g/mol
Exact Mass423.12
IUPAC Name[4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ncc34)c2)cs1
InChIInChI=1S/C21H18FN5O2S/c22-16-2-1-13(18-11-30-20(10-28)26-18)7-14(16)21-15-9-23-19(8-17(15)24-12-25-21)27-3-5-29-6-4-27/h1-2,7-9,11-12,28H,3-6,10H2
InChIKeyFUIUFWWAMFMEOR-UHFFFAOYSA-N
XLogP3.28
TPSA84.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol
CID 131746756
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[4-(hydroxymethyl)-1,3-thiazol-2-yl]methanol
CID 118954746
(5,6-dimethylpyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954958
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118955010
2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone
CID 147925745
4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine
CID 135268460
(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86294562
2-hydroxy-5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]benzamide
CID 131963040
4-[4-[5-[1-(3,5-difluoro-4-pyridinyl)prop-2-ynyl]-2-fluorophenyl]quinazolin-7-yl]morpholine
CID 123743146
N-[1-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-3-methylbut-2-en-2-yl]prop-2-en-1-imine;propan-1-ol
CID 144744910
[3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol
CID 69247298
4-(7-thiophen-2-ylquinazolin-4-yl)morpholine
CID 123590034

Frequently Asked Questions

What is the IUPAC name of [4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol (CID 118954821) is [4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol is OCc1nc(-c2ccc(F)c(-c3ncnc4cc(N5CCOCC5)ncc34)c2)cs1.
What is the InChIKey of [4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol?
The InChIKey is FUIUFWWAMFMEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S/c22-16-2-1-13(18-11-30-20(10-28)26-18)7-14(16)21-15-9-23-19(8-17(15)24-12-25-21)27-3-5-29-6-4-27/h1-2,7-9,11-12,28H,3-6,10H2.
What are the key properties of [4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol?
[4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol has a molecular weight of 423.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-fluoro-3-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 118954821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).