(3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C17H15N5O2 — CID 77097748

IUPAC(3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ncccc1O)N1CCc2nc(-c3cccnc3)[nH]c2C1
InChIInChI=1S/C17H15N5O2/c23-14-4-2-7-19-15(14)17(24)22-8-5-12-13(10-22)21-16(20-12)11-3-1-6-18-9-11/h1-4,6-7,9,23H,5,8,10H2,(H,20,21)
InChIKeyWUHVBRQTJIEMHB-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.77
Rot. Bonds2

About (3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 77097748) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is (3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID77097748
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name(3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ncccc1O)N1CCc2nc(-c3cccnc3)[nH]c2C1
InChIInChI=1S/C17H15N5O2/c23-14-4-2-7-19-15(14)17(24)22-8-5-12-13(10-22)21-16(20-12)11-3-1-6-18-9-11/h1-4,6-7,9,23H,5,8,10H2,(H,20,21)
InChIKeyWUHVBRQTJIEMHB-UHFFFAOYSA-N
XLogP1.77
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 77097748) is (3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is O=C(c1ncccc1O)N1CCc2nc(-c3cccnc3)[nH]c2C1.
What is the InChIKey of (3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is WUHVBRQTJIEMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-14-4-2-7-19-15(14)17(24)22-8-5-12-13(10-22)21-16(20-12)11-3-1-6-18-9-11/h1-4,6-7,9,23H,5,8,10H2,(H,20,21).
What are the key properties of (3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 321.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-pyridinyl)-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 77097748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).