1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone

C24H26FN5O2 — CID 156717075

IUPAC1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone
SMILESCOc1cncc(-c2cc(Nc3cccc(F)c3)nc(C3CC[C@@H](C)N(C(C)=O)C3)n2)c1
InChIInChI=1S/C24H26FN5O2/c1-15-7-8-17(14-30(15)16(2)31)24-28-22(18-9-21(32-3)13-26-12-18)11-23(29-24)27-20-6-4-5-19(25)10-20/h4-6,9-13,15,17H,7-8,14H2,1-3H3,(H,27,28,29)/t15-,17?/m1/s1
InChIKeyBPOWXODGCFZDRU-LDCVWXEPSA-N
MW435.50 g/mol
LogP4.54
Rot. Bonds5

About 1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone

1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone (PubChem CID 156717075) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone
PubChem CID156717075
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone
SMILESCOc1cncc(-c2cc(Nc3cccc(F)c3)nc(C3CC[C@@H](C)N(C(C)=O)C3)n2)c1
InChIInChI=1S/C24H26FN5O2/c1-15-7-8-17(14-30(15)16(2)31)24-28-22(18-9-21(32-3)13-26-12-18)11-23(29-24)27-20-6-4-5-19(25)10-20/h4-6,9-13,15,17H,7-8,14H2,1-3H3,(H,27,28,29)/t15-,17?/m1/s1
InChIKeyBPOWXODGCFZDRU-LDCVWXEPSA-N
XLogP4.54
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

Lexibulin
CID 11351021
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336
Vuf5574
CID 4046493
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
(1R,2S)-N-(5-fluoropyridin-2-yl)-2-(((4-(methoxymethyl)-2-methylpyrimidin-5-yl)oxy)methyl)-2-phenylcyclopropanecarboxamide
CID 56944522
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138078
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide
CID 25138081
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]propanamide
CID 25138082
2-[3-(4-Fluoro-2-methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one;hydrochloride
CID 137651411
N-(2-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-phenyl)-acetamide
CID 9869403

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone (CID 156717075) is 1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone is COc1cncc(-c2cc(Nc3cccc(F)c3)nc(C3CC[C@@H](C)N(C(C)=O)C3)n2)c1.
What is the InChIKey of 1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone?
The InChIKey is BPOWXODGCFZDRU-LDCVWXEPSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-15-7-8-17(14-30(15)16(2)31)24-28-22(18-9-21(32-3)13-26-12-18)11-23(29-24)27-20-6-4-5-19(25)10-20/h4-6,9-13,15,17H,7-8,14H2,1-3H3,(H,27,28,29)/t15-,17?/m1/s1.
What are the key properties of 1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone?
1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone has a molecular weight of 435.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-5-[4-(3-fluoroanilino)-6-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 156717075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).