5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

C15H19FN6 — CID 172899877

IUPAC5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESFc1ccc(N2CC3CCN(CCn4nccn4)C3C2)nc1
InChIInChI=1S/C15H19FN6/c16-13-1-2-15(17-9-13)21-10-12-3-6-20(14(12)11-21)7-8-22-18-4-5-19-22/h1-2,4-5,9,12,14H,3,6-8,10-11H2
InChIKeyMUDPWFBYSLFNCR-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.02
Rot. Bonds4

About 5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 172899877) has the molecular formula C15H19FN6 and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID172899877
Molecular FormulaC15H19FN6
Molecular Weight302.36 g/mol
Exact Mass302.17
IUPAC Name5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESFc1ccc(N2CC3CCN(CCn4nccn4)C3C2)nc1
InChIInChI=1S/C15H19FN6/c16-13-1-2-15(17-9-13)21-10-12-3-6-20(14(12)11-21)7-8-22-18-4-5-19-22/h1-2,4-5,9,12,14H,3,6-8,10-11H2
InChIKeyMUDPWFBYSLFNCR-UHFFFAOYSA-N
XLogP1.02
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Fluorobenzyl)-5-(3-methylpyrazin-2-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
CID 56755247
2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine
CID 95122667
5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine
CID 100759611
5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 164632526
1-[[1-(Cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine
CID 71293784
1-[4-[1-(Cyclopentylmethyl)triazol-4-yl]butyl]-4-(6-fluoro-2-pyridinyl)piperazine
CID 71294054
1-[[1-(2-Fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine
CID 71294146
1-[2-[1-(2-Fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine
CID 71294228
1-[[1-(3-Fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine
CID 71294259
5-Tert-butyl-1-[5-(trifluoromethyl)pyridin-2-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 89728287
5-Methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 89729912
N-(3-amino-6-pyrazol-1-yl-2-pyridinyl)-2-(2-fluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 124190640

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 172899877) is 5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is Fc1ccc(N2CC3CCN(CCn4nccn4)C3C2)nc1.
What is the InChIKey of 5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is MUDPWFBYSLFNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6/c16-13-1-2-15(17-9-13)21-10-12-3-6-20(14(12)11-21)7-8-22-18-4-5-19-22/h1-2,4-5,9,12,14H,3,6-8,10-11H2.
What are the key properties of 5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 302.36 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-pyridinyl)-1-[2-(triazol-2-yl)ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 172899877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).