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

C15H24N4O — CID 21265683

IUPAC3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol
SMILESCCCCCCC(C(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)
InChIKeyDAWSASDELFSMFB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.91
Rot. Bonds7

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

3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol (PubChem CID 21265683) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol.

Molecular Properties

Compound Name3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol
PubChem CID21265683
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol
SMILESCCCCCCC(C(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)
InChIKeyDAWSASDELFSMFB-UHFFFAOYSA-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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Related Compounds

3-Deazaadenosine
CID 23190
Fadraciclib
CID 24983461
3-Deazaneplanocin
CID 73087
(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CID 10224714
3-(6-Amino-purin-9-yl)-7-phenyl-heptan-2-ol
CID 10404061
3-(6-Amino-purin-9-yl)-6-phenyl-hexan-2-ol
CID 10543066
3-(6-Amino-purin-9-yl)-8-phenyl-octan-2-ol
CID 10593196
(2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
CID 9842276
3-(6-Amino-purin-9-yl)-4-p-tolyl-butan-2-ol
CID 10709134
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 12111409
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol
CID 12111411
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2,2-dimethyl-hexan-3-ol
CID 12111413

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol?
The IUPAC name of 3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol (CID 21265683) is 3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol.
What is the SMILES notation for 3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol?
The canonical SMILES for 3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol is CCCCCCC(C(C)O)n1cnc2c(N)nccc21.
What is the InChIKey of 3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol?
The InChIKey is DAWSASDELFSMFB-UHFFFAOYSA-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).
What are the key properties of 3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol?
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 3-(4-aminoimidazo[4,5-c]pyridin-1-yl)nonan-2-ol is sourced from PubChem (CID 21265683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).