[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C15H15N3O2 — CID 99936128

IUPAC[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C([C@@H]1Cc2ccccc2O1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C15H15N3O2/c19-15(14-7-10-3-1-2-4-13(10)20-14)18-6-5-12-11(9-18)8-16-17-12/h1-4,8,14H,5-7,9H2,(H,16,17)/t14-/m0/s1
InChIKeyDHJZOFAGIDRHRI-AWEZNQCLSA-N
MW269.30 g/mol
LogP1.30
Rot. Bonds1

About [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 99936128) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID99936128
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C([C@@H]1Cc2ccccc2O1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C15H15N3O2/c19-15(14-7-10-3-1-2-4-13(10)20-14)18-6-5-12-11(9-18)8-16-17-12/h1-4,8,14H,5-7,9H2,(H,16,17)/t14-/m0/s1
InChIKeyDHJZOFAGIDRHRI-AWEZNQCLSA-N
XLogP1.30
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 99936128) is [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is O=C([C@@H]1Cc2ccccc2O1)N1CCc2[nH]ncc2C1.
What is the InChIKey of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is DHJZOFAGIDRHRI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(14-7-10-3-1-2-4-13(10)20-14)18-6-5-12-11(9-18)8-16-17-12/h1-4,8,14H,5-7,9H2,(H,16,17)/t14-/m0/s1.
What are the key properties of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 269.30 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 99936128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).