5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine

C13H15FN4 — CID 100759611

IUPAC5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine
SMILESCn1cc([C@@H]2CCCN2c2ccc(F)cn2)cn1
InChIInChI=1S/C13H15FN4/c1-17-9-10(7-16-17)12-3-2-6-18(12)13-5-4-11(14)8-15-13/h4-5,7-9,12H,2-3,6H2,1H3/t12-/m0/s1
InChIKeyAVSXVIYYFWUPRC-LBPRGKRZSA-N
MW246.29 g/mol
LogP2.30
Rot. Bonds2

About 5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine

5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine (PubChem CID 100759611) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine
PubChem CID100759611
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine
SMILESCn1cc([C@@H]2CCCN2c2ccc(F)cn2)cn1
InChIInChI=1S/C13H15FN4/c1-17-9-10(7-16-17)12-3-2-6-18(12)13-5-4-11(14)8-15-13/h4-5,7-9,12H,2-3,6H2,1H3/t12-/m0/s1
InChIKeyAVSXVIYYFWUPRC-LBPRGKRZSA-N
XLogP2.30
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
CID 133281033
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline
CID 95342310
5-fluoro-2-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine
CID 119040542
methyl 6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 133281007
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 95569651
5-(4-fluorophenyl)-2-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95569830
6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 97221231
3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]benzonitrile
CID 133281061
[1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 61409466
3-(2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 124740852
2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine
CID 133378933
6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyridin-3-amine
CID 146380890

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine (CID 100759611) is 5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine is Cn1cc([C@@H]2CCCN2c2ccc(F)cn2)cn1.
What is the InChIKey of 5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine?
The InChIKey is AVSXVIYYFWUPRC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15FN4/c1-17-9-10(7-16-17)12-3-2-6-18(12)13-5-4-11(14)8-15-13/h4-5,7-9,12H,2-3,6H2,1H3/t12-/m0/s1.
What are the key properties of 5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine?
5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine has a molecular weight of 246.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 100759611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).