[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone

C21H20FN5O — CID 95717763

IUPAC[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccncc2)nc1)N1CCC[C@@H](Nc2cccc(F)c2)C1
InChIInChI=1S/C21H20FN5O/c22-17-3-1-4-18(11-17)26-19-5-2-10-27(14-19)21(28)16-12-24-20(25-13-16)15-6-8-23-9-7-15/h1,3-4,6-9,11-13,19,26H,2,5,10,14H2/t19-/m1/s1
InChIKeyPQSSLBLDZXWHGQ-LJQANCHMSA-N
MW377.42 g/mol
LogP3.39
Rot. Bonds4

About [(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone

[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone (PubChem CID 95717763) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is [(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
PubChem CID95717763
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccncc2)nc1)N1CCC[C@@H](Nc2cccc(F)c2)C1
InChIInChI=1S/C21H20FN5O/c22-17-3-1-4-18(11-17)26-19-5-2-10-27(14-19)21(28)16-12-24-20(25-13-16)15-6-8-23-9-7-15/h1,3-4,6-9,11-13,19,26H,2,5,10,14H2/t19-/m1/s1
InChIKeyPQSSLBLDZXWHGQ-LJQANCHMSA-N
XLogP3.39
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone with MolForge

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Related Compounds

[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 24791859
N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide
CID 25380229
[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 95725177
[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264391
1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
CID 25370122
1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 25447576
1-[3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 45222417
pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone
CID 97193617
[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 45218235
[3-(3-fluoroanilino)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 56915294
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 24791780

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone (CID 95717763) is [(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone is O=C(c1cnc(-c2ccncc2)nc1)N1CCC[C@@H](Nc2cccc(F)c2)C1.
What is the InChIKey of [(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is PQSSLBLDZXWHGQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-17-3-1-4-18(11-17)26-19-5-2-10-27(14-19)21(28)16-12-24-20(25-13-16)15-6-8-23-9-7-15/h1,3-4,6-9,11-13,19,26H,2,5,10,14H2/t19-/m1/s1.
What are the key properties of [(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 377.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 95717763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).