4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide

C25H29FN6O3 — CID 86305152

IUPAC4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide
SMILESCNC(=O)c1cc(CCc2cnc(Nc3ccc(CN4CCOCC4)nc3)nc2)c(F)c(OC)c1
InChIInChI=1S/C25H29FN6O3/c1-27-24(33)19-11-18(23(26)22(12-19)34-2)4-3-17-13-29-25(30-14-17)31-20-5-6-21(28-15-20)16-32-7-9-35-10-8-32/h5-6,11-15H,3-4,7-10,16H2,1-2H3,(H,27,33)(H,29,30,31)
InChIKeyXGQMIFLONVQREV-UHFFFAOYSA-N
MW480.54 g/mol
LogP2.74
Rot. Bonds9

About 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide

4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide (PubChem CID 86305152) has the molecular formula C25H29FN6O3 and a molecular weight of 480.54 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide
PubChem CID86305152
Molecular FormulaC25H29FN6O3
Molecular Weight480.54 g/mol
Exact Mass480.23
IUPAC Name4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide
SMILESCNC(=O)c1cc(CCc2cnc(Nc3ccc(CN4CCOCC4)nc3)nc2)c(F)c(OC)c1
InChIInChI=1S/C25H29FN6O3/c1-27-24(33)19-11-18(23(26)22(12-19)34-2)4-3-17-13-29-25(30-14-17)31-20-5-6-21(28-15-20)16-32-7-9-35-10-8-32/h5-6,11-15H,3-4,7-10,16H2,1-2H3,(H,27,33)(H,29,30,31)
InChIKeyXGQMIFLONVQREV-UHFFFAOYSA-N
XLogP2.74
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide with MolForge

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Related Compounds

Sonidegib
CID 24775005
Bi 2536
CID 11364421
Gne-7915
CID 58539171
p-(18F)MPPF
CID 5352127
6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548303
4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-benzamide
CID 9890357
4-Methyl-3-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)-N-[2-Morpholin-4-Yl-5-(Trifluoromethyl)phenyl]benzamide
CID 16040290
4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108989
4-methyl-N-(2-morpholino-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108990
4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 16108995
2-(Methylamino)pyrimidine 57
CID 16108996
2-(Methylamino)pyrimidine 58
CID 16108997

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide (CID 86305152) is 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide is CNC(=O)c1cc(CCc2cnc(Nc3ccc(CN4CCOCC4)nc3)nc2)c(F)c(OC)c1.
What is the InChIKey of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide?
The InChIKey is XGQMIFLONVQREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O3/c1-27-24(33)19-11-18(23(26)22(12-19)34-2)4-3-17-13-29-25(30-14-17)31-20-5-6-21(28-15-20)16-32-7-9-35-10-8-32/h5-6,11-15H,3-4,7-10,16H2,1-2H3,(H,27,33)(H,29,30,31).
What are the key properties of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide?
4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide has a molecular weight of 480.54 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 86305152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).