(3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid

C15H15FN4O2 — CID 166313618

IUPAC(3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid
SMILESCc1cnc(N2C[C@@H](c3cccnc3)[C@](F)(C(=O)O)C2)nc1
InChIInChI=1S/C15H15FN4O2/c1-10-5-18-14(19-6-10)20-8-12(11-3-2-4-17-7-11)15(16,9-20)13(21)22/h2-7,12H,8-9H2,1H3,(H,21,22)/t12-,15-/m0/s1
InChIKeyQQOUTJRZPGKVFL-WFASDCNBSA-N
MW302.31 g/mol
LogP1.58
Rot. Bonds3

About (3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid

(3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid (PubChem CID 166313618) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid
PubChem CID166313618
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name(3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid
SMILESCc1cnc(N2C[C@@H](c3cccnc3)[C@](F)(C(=O)O)C2)nc1
InChIInChI=1S/C15H15FN4O2/c1-10-5-18-14(19-6-10)20-8-12(11-3-2-4-17-7-11)15(16,9-20)13(21)22/h2-7,12H,8-9H2,1H3,(H,21,22)/t12-,15-/m0/s1
InChIKeyQQOUTJRZPGKVFL-WFASDCNBSA-N
XLogP1.58
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine
CID 142345663
[9-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone
CID 97450891
2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid
CID 116681869
2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid
CID 121267335
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid
CID 69430460
7-(5-methylpyrimidin-2-yl)-4-pyridin-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine;2,2,2-trifluoroacetic acid
CID 155863297
1-methylsulfonyl-4-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 83290659
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 122106606
(2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577262
2-methyl-6-(5-methylpyrimidin-2-yl)-7a-pyrazin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazine
CID 144616192

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid (CID 166313618) is (3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid is Cc1cnc(N2C[C@@H](c3cccnc3)[C@](F)(C(=O)O)C2)nc1.
What is the InChIKey of (3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid?
The InChIKey is QQOUTJRZPGKVFL-WFASDCNBSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-10-5-18-14(19-6-10)20-8-12(11-3-2-4-17-7-11)15(16,9-20)13(21)22/h2-7,12H,8-9H2,1H3,(H,21,22)/t12-,15-/m0/s1.
What are the key properties of (3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid?
(3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-1-(5-methylpyrimidin-2-yl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 166313618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).