(4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone

C21H20FN5O — CID 110267180

IUPAC(4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(Nc2nccc(C3CCCN3C(=O)c3ccc(F)cc3)n2)nc1
InChIInChI=1S/C21H20FN5O/c1-14-4-9-19(24-13-14)26-21-23-11-10-17(25-21)18-3-2-12-27(18)20(28)15-5-7-16(22)8-6-15/h4-11,13,18H,2-3,12H2,1H3,(H,23,24,25,26)
InChIKeyFXFSQFCVEZHOHF-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.04
Rot. Bonds4

About (4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone

(4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone (PubChem CID 110267180) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
PubChem CID110267180
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name(4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(Nc2nccc(C3CCCN3C(=O)c3ccc(F)cc3)n2)nc1
InChIInChI=1S/C21H20FN5O/c1-14-4-9-19(24-13-14)26-21-23-11-10-17(25-21)18-3-2-12-27(18)20(28)15-5-7-16(22)8-6-15/h4-11,13,18H,2-3,12H2,1H3,(H,23,24,25,26)
InChIKeyFXFSQFCVEZHOHF-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110267288
N-(5-methyl-2-pyridinyl)-6-[(2S)-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]pyridine-2-carboxamide
CID 125014801
1-[4-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110267424
1-[4-[(3S)-3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95837942
2-(4-fluorophenyl)-1-[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837862
cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267387
2-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110248981
1-[(2S)-2-[6-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 95835785
4-(N-methylanilino)-1-[(3S)-3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]butan-1-one
CID 95838022
[(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 7271165
4-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 110267126
2-(4-fluorophenyl)-1-[(2S)-2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837864

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone (CID 110267180) is (4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone is Cc1ccc(Nc2nccc(C3CCCN3C(=O)c3ccc(F)cc3)n2)nc1.
What is the InChIKey of (4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The InChIKey is FXFSQFCVEZHOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-14-4-9-19(24-13-14)26-21-23-11-10-17(25-21)18-3-2-12-27(18)20(28)15-5-7-16(22)8-6-15/h4-11,13,18H,2-3,12H2,1H3,(H,23,24,25,26).
What are the key properties of (4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
(4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone has a molecular weight of 377.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110267180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).