N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine

C18H19FN6O2S — CID 95813512

IUPACN-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine
SMILESCn1cnc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Nc3ccc(F)cn3)cn2)c1
InChIInChI=1S/C18H19FN6O2S/c1-24-11-18(22-12-24)28(26,27)25-8-2-3-16(25)15-6-5-14(10-20-15)23-17-7-4-13(19)9-21-17/h4-7,9-12,16H,2-3,8H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyRWATXNOEWAXEEX-MRXNPFEDSA-N
MW402.46 g/mol
LogP2.62
Rot. Bonds5

About N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine

N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine (PubChem CID 95813512) has the molecular formula C18H19FN6O2S and a molecular weight of 402.46 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine
PubChem CID95813512
Molecular FormulaC18H19FN6O2S
Molecular Weight402.46 g/mol
Exact Mass402.13
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine
SMILESCn1cnc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Nc3ccc(F)cn3)cn2)c1
InChIInChI=1S/C18H19FN6O2S/c1-24-11-18(22-12-24)28(26,27)25-8-2-3-16(25)15-6-5-14(10-20-15)23-17-7-4-13(19)9-21-17/h4-7,9-12,16H,2-3,8H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyRWATXNOEWAXEEX-MRXNPFEDSA-N
XLogP2.62
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine
CID 110252228
N-(5-fluoro-2-pyridinyl)-6-[(2R)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]pyridin-2-amine
CID 124961644
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide
CID 92625334
4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 92617111
6-[(2R)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124942643
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124998979
2-[(3-fluorophenyl)methyl]-6-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 95818487
5-(4-fluorophenyl)-4-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidin-2-amine
CID 95837184
5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole
CID 124999412
1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole
CID 95824678
5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 110121353
2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole
CID 125001964

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine (CID 95813512) is N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine is Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Nc3ccc(F)cn3)cn2)c1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine?
The InChIKey is RWATXNOEWAXEEX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19FN6O2S/c1-24-11-18(22-12-24)28(26,27)25-8-2-3-16(25)15-6-5-14(10-20-15)23-17-7-4-13(19)9-21-17/h4-7,9-12,16H,2-3,8H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine?
N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine has a molecular weight of 402.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine is sourced from PubChem (CID 95813512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).