(2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol

C15H24N4O — CID 11778223

IUPAC(2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol
SMILESCCCCCC[C@H]([C@H](C)O)n1cnc2c(N)nccc21
InChIInChI=1S/C15H24N4O/c1-3-4-5-6-7-12(11(2)20)19-10-18-14-13(19)8-9-17-15(14)16/h8-12,20H,3-7H2,1-2H3,(H2,16,17)/t11-,12+/m0/s1
InChIKeyDAWSASDELFSMFB-NWDGAFQWSA-N
MW276.38 g/mol
LogP2.91
Rot. Bonds7

About (2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol

(2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol (PubChem CID 11778223) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol
PubChem CID11778223
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol
SMILESCCCCCC[C@H]([C@H](C)O)n1cnc2c(N)nccc21
InChIInChI=1S/C15H24N4O/c1-3-4-5-6-7-12(11(2)20)19-10-18-14-13(19)8-9-17-15(14)16/h8-12,20H,3-7H2,1-2H3,(H2,16,17)/t11-,12+/m0/s1
InChIKeyDAWSASDELFSMFB-NWDGAFQWSA-N
XLogP2.91
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol?
The IUPAC name of (2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol (CID 11778223) is (2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol.
What is the SMILES notation for (2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol?
The canonical SMILES for (2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol is CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)nccc21.
What is the InChIKey of (2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol?
The InChIKey is DAWSASDELFSMFB-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-4-5-6-7-12(11(2)20)19-10-18-14-13(19)8-9-17-15(14)16/h8-12,20H,3-7H2,1-2H3,(H2,16,17)/t11-,12+/m0/s1.
What are the key properties of (2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol?
(2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol has a molecular weight of 276.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol is sourced from PubChem (CID 11778223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).