[(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C16H24FN5O2 — CID 120963351

IUPAC[(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@@H](F)CN1Cc1nnc2n1CCCC2)N1CCOCC1
InChIInChI=1S/C16H24FN5O2/c17-12-9-13(16(23)20-5-7-24-8-6-20)21(10-12)11-15-19-18-14-3-1-2-4-22(14)15/h12-13H,1-11H2/t12-,13+/m1/s1
InChIKeyDVGVQLBPYNQZSH-OLZOCXBDSA-N
MW337.40 g/mol
LogP0.39
Rot. Bonds3

About [(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120963351) has the molecular formula C16H24FN5O2 and a molecular weight of 337.40 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120963351
Molecular FormulaC16H24FN5O2
Molecular Weight337.40 g/mol
Exact Mass337.19
IUPAC Name[(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@@H](F)CN1Cc1nnc2n1CCCC2)N1CCOCC1
InChIInChI=1S/C16H24FN5O2/c17-12-9-13(16(23)20-5-7-24-8-6-20)21(10-12)11-15-19-18-14-3-1-2-4-22(14)15/h12-13H,1-11H2/t12-,13+/m1/s1
InChIKeyDVGVQLBPYNQZSH-OLZOCXBDSA-N
XLogP0.39
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

(3-tert-butyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-morpholin-4-ylmethanone
CID 118740463
cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone
CID 134788824
3-[[2-(Methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-1-propan-2-ylpiperidin-2-one
CID 71851287
1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione
CID 91956750
1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione
CID 91956973
1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-morpholin-4-ylpentane-1,5-dione
CID 91956974
[(2S,4R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120963317
2-[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53578433
2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 56814473
[1-[(4,5-Dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 75519893
2-[(3-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 86772847
1-Morpholin-4-yl-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propan-1-one
CID 86772860

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120963351) is [(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@@H](F)CN1Cc1nnc2n1CCCC2)N1CCOCC1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is DVGVQLBPYNQZSH-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H24FN5O2/c17-12-9-13(16(23)20-5-7-24-8-6-20)21(10-12)11-15-19-18-14-3-1-2-4-22(14)15/h12-13H,1-11H2/t12-,13+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 337.40 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120963351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).