[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone

C25H24FN7O2 — CID 121433071

IUPAC[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
InChIInChI=1S/C25H24FN7O2/c1-15-10-21(24(34)32-7-2-3-8-32)27-11-17(15)19-13-29-25(33-14-30-31-23(19)33)28-12-18-16-6-9-35-22(16)5-4-20(18)26/h4-5,10-11,13-14H,2-3,6-9,12H2,1H3,(H,28,29)
InChIKeyWZZICXXQMQLPFR-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.42
Rot. Bonds5

About [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone

[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 121433071) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID121433071
Molecular FormulaC25H24FN7O2
Molecular Weight473.51 g/mol
Exact Mass473.20
IUPAC Name[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12
InChIInChI=1S/C25H24FN7O2/c1-15-10-21(24(34)32-7-2-3-8-32)27-11-17(15)19-13-29-25(33-14-30-31-23(19)33)28-12-18-16-6-9-35-22(16)5-4-20(18)26/h4-5,10-11,13-14H,2-3,6-9,12H2,1H3,(H,28,29)
InChIKeyWZZICXXQMQLPFR-UHFFFAOYSA-N
XLogP3.42
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 121433071) is [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1cc(C(=O)N2CCCC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12.
What is the InChIKey of [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is WZZICXXQMQLPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O2/c1-15-10-21(24(34)32-7-2-3-8-32)27-11-17(15)19-13-29-25(33-14-30-31-23(19)33)28-12-18-16-6-9-35-22(16)5-4-20(18)26/h4-5,10-11,13-14H,2-3,6-9,12H2,1H3,(H,28,29).
What are the key properties of [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 473.51 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methyl-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 121433071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).