(3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine

C19H20FN5 — CID 99620171

IUPAC(3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine
SMILESFc1cccnc1N1CC[C@H](N[C@H](c2ccccc2)c2ncc[nH]2)C1
InChIInChI=1S/C19H20FN5/c20-16-7-4-9-23-19(16)25-12-8-15(13-25)24-17(18-21-10-11-22-18)14-5-2-1-3-6-14/h1-7,9-11,15,17,24H,8,12-13H2,(H,21,22)/t15-,17+/m0/s1
InChIKeyBEUMSVYVPZQWGF-DOTOQJQBSA-N
MW337.40 g/mol
LogP2.90
Rot. Bonds5

About (3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine

(3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine (PubChem CID 99620171) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is (3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine
PubChem CID99620171
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name(3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine
SMILESFc1cccnc1N1CC[C@H](N[C@H](c2ccccc2)c2ncc[nH]2)C1
InChIInChI=1S/C19H20FN5/c20-16-7-4-9-23-19(16)25-12-8-15(13-25)24-17(18-21-10-11-22-18)14-5-2-1-3-6-14/h1-7,9-11,15,17,24H,8,12-13H2,(H,21,22)/t15-,17+/m0/s1
InChIKeyBEUMSVYVPZQWGF-DOTOQJQBSA-N
XLogP2.90
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine with MolForge

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Related Compounds

cyclopentyl-[(3R)-3-[[(S)-1H-imidazol-2-yl(phenyl)methyl]amino]pyrrolidin-1-yl]methanone
CID 99620500
N-[1H-imidazol-2-yl(phenyl)methyl]-1-(1-methyltetrazol-5-yl)piperidin-4-amine
CID 154753993
1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75448750
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1S)-1-quinolin-2-ylethyl]pyrrolidin-3-amine
CID 97323599
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine
CID 97323600
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide
CID 136564462
3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine
CID 167898363
2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 71921906
(2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 129473040
(1R)-1-(1H-imidazol-2-yl)-N-methyl-1-phenylmethanamine
CID 124512474
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
CID 119051968

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine (CID 99620171) is (3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine is Fc1cccnc1N1CC[C@H](N[C@H](c2ccccc2)c2ncc[nH]2)C1.
What is the InChIKey of (3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine?
The InChIKey is BEUMSVYVPZQWGF-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H20FN5/c20-16-7-4-9-23-19(16)25-12-8-15(13-25)24-17(18-21-10-11-22-18)14-5-2-1-3-6-14/h1-7,9-11,15,17,24H,8,12-13H2,(H,21,22)/t15-,17+/m0/s1.
What are the key properties of (3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine?
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine has a molecular weight of 337.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 99620171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).