2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane

C14H17FN6 — CID 172899920

IUPAC2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESFc1cccnc1N1CC2CC1CN2CCn1nccn1
InChIInChI=1S/C14H17FN6/c15-13-2-1-3-16-14(13)20-10-11-8-12(20)9-19(11)6-7-21-17-4-5-18-21/h1-5,11-12H,6-10H2
InChIKeyOFYUCKKMCPNAGU-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.78
Rot. Bonds4

About 2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane

2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 172899920) has the molecular formula C14H17FN6 and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID172899920
Molecular FormulaC14H17FN6
Molecular Weight288.33 g/mol
Exact Mass288.15
IUPAC Name2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESFc1cccnc1N1CC2CC1CN2CCn1nccn1
InChIInChI=1S/C14H17FN6/c15-13-2-1-3-16-14(13)20-10-11-8-12(20)9-19(11)6-7-21-17-4-5-18-21/h1-5,11-12H,6-10H2
InChIKeyOFYUCKKMCPNAGU-UHFFFAOYSA-N
XLogP0.78
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane with MolForge

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Related Compounds

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CID 6869368
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CID 62734561
N-(2-pyrazol-1-yl-3-pyridinyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 45832880
1-{[1-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-[2-(1H-imidazol-1-yl)ethyl]piperidine
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1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-8-[5-(trifluoromethyl)-2-pyridinyl]-1,8-diazaspiro[4.5]decane
CID 70785035
3-fluoro-2-(3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)pyridine
CID 72872159
2,2'-(1h-1,2,3-Triazole-1,4-diyl)dipyridine
CID 22639532
2,3-Di(pyrazol-1-yl)pyridine
CID 91358877
2-[4-[[1-(3-Fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine
CID 49229922
2-[5-(3,5-Dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane
CID 71922533
2-[4-(1,2,4-Triazol-1-yl)piperidin-1-yl]pyridine
CID 72018174
7-(3-Pyrrolidin-1-ylpyrazin-2-yl)pyrazolo[1,5-a]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane (CID 172899920) is 2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane is Fc1cccnc1N1CC2CC1CN2CCn1nccn1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is OFYUCKKMCPNAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6/c15-13-2-1-3-16-14(13)20-10-11-8-12(20)9-19(11)6-7-21-17-4-5-18-21/h1-5,11-12H,6-10H2.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane?
2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 288.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-5-[2-(triazol-2-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 172899920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).