4-fluoro-3-methoxy-N-methyl-5-[[2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide

C24H27FN6O3 — CID 90435728

IUPAC4-fluoro-3-methoxy-N-methyl-5-[[2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide
SMILESCNC(=O)c1cc(COc2cnc(Nc3ccc(C4CCNCC4)nc3)nc2)c(F)c(OC)c1
InChIInChI=1S/C24H27FN6O3/c1-26-23(32)16-9-17(22(25)21(10-16)33-2)14-34-19-12-29-24(30-13-19)31-18-3-4-20(28-11-18)15-5-7-27-8-6-15/h3-4,9-13,15,27H,5-8,14H2,1-2H3,(H,26,32)(H,29,30,31)
InChIKeyDRTDFOOVLCBQNO-UHFFFAOYSA-N
MW466.52 g/mol
LogP3.17
Rot. Bonds8

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

4-fluoro-3-methoxy-N-methyl-5-[[2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide (PubChem CID 90435728) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-methyl-5-[[2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-methyl-5-[[2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide
PubChem CID90435728
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC Name4-fluoro-3-methoxy-N-methyl-5-[[2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide
SMILESCNC(=O)c1cc(COc2cnc(Nc3ccc(C4CCNCC4)nc3)nc2)c(F)c(OC)c1
InChIInChI=1S/C24H27FN6O3/c1-26-23(32)16-9-17(22(25)21(10-16)33-2)14-34-19-12-29-24(30-13-19)31-18-3-4-20(28-11-18)15-5-7-27-8-6-15/h3-4,9-13,15,27H,5-8,14H2,1-2H3,(H,26,32)(H,29,30,31)
InChIKeyDRTDFOOVLCBQNO-UHFFFAOYSA-N
XLogP3.17
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]-N-(6-piperidin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 122605373
3-[[2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-methoxyanilino]pyrimidin-5-yl]oxymethyl]-4-fluoro-5-methoxy-N-methylbenzamide
CID 118687836
3-[[2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]pyrimidin-5-yl]oxymethyl]-4-fluoro-5-methoxy-N-methylbenzamide
CID 90435975
1-[3-[[2-(4-cyclohexylanilino)pyrimidin-5-yl]oxymethyl]-4-fluoro-5-methoxyphenyl]propan-1-one
CID 158882074
1-[3-[[2-[4-(1-ethylpiperidin-4-yl)anilino]pyrimidin-5-yl]oxymethyl]-4-fluoro-5-methoxyphenyl]propan-1-one
CID 158224131
N-methyl-6-piperidin-4-ylpyridine-3-carboxamide
CID 73440684
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine
CID 90166148
4-fluoro-3-methoxy-N-methyl-5-[2-[2-[4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]anilino]pyrimidin-5-yl]ethyl]benzamide
CID 118687857
3-[[6-[(1-ethylpyrazol-4-yl)amino]-3-pyridinyl]oxymethyl]-4-fluoro-5-methoxy-N-methylbenzamide
CID 90435352
N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 141399085
N-cyclopropyl-4-fluoro-3-methoxy-5-[[2-[2-methyl-6-(prop-2-enoylamino)anilino]pyrimidin-5-yl]oxymethyl]benzamide
CID 134457625
3-[2-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethyl]-4-fluoro-5-methoxy-N-methylbenzamide
CID 85468928

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-methyl-5-[[2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-methyl-5-[[2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide (CID 90435728) is 4-fluoro-3-methoxy-N-methyl-5-[[2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-methyl-5-[[2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-methyl-5-[[2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide is CNC(=O)c1cc(COc2cnc(Nc3ccc(C4CCNCC4)nc3)nc2)c(F)c(OC)c1.
What is the InChIKey of 4-fluoro-3-methoxy-N-methyl-5-[[2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide?
The InChIKey is DRTDFOOVLCBQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O3/c1-26-23(32)16-9-17(22(25)21(10-16)33-2)14-34-19-12-29-24(30-13-19)31-18-3-4-20(28-11-18)15-5-7-27-8-6-15/h3-4,9-13,15,27H,5-8,14H2,1-2H3,(H,26,32)(H,29,30,31).
What are the key properties of 4-fluoro-3-methoxy-N-methyl-5-[[2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide?
4-fluoro-3-methoxy-N-methyl-5-[[2-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide has a molecular weight of 466.52 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 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-[(6-piperidin-4-yl-3-pyridinyl)amino]pyrimidin-5-yl]oxymethyl]benzamide is sourced from PubChem (CID 90435728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).