(Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol

C11H14N4O2 — CID 82371988

IUPAC(Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol
SMILESNc1nccc2c1ncn2C/C=C\C(O)CO
InChIInChI=1S/C11H14N4O2/c12-11-10-9(3-4-13-11)15(7-14-10)5-1-2-8(17)6-16/h1-4,7-8,16-17H,5-6H2,(H2,12,13)/b2-1-
InChIKeyXRBAWOBXAHMXLX-UPHRSURJSA-N
MW234.26 g/mol
LogP-0.08
Rot. Bonds4

About (Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol

(Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol (PubChem CID 82371988) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is (Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol.

Molecular Properties

Compound Name(Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol
PubChem CID82371988
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name(Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol
SMILESNc1nccc2c1ncn2C/C=C\C(O)CO
InChIInChI=1S/C11H14N4O2/c12-11-10-9(3-4-13-11)15(7-14-10)5-1-2-8(17)6-16/h1-4,7-8,16-17H,5-6H2,(H2,12,13)/b2-1-
InChIKeyXRBAWOBXAHMXLX-UPHRSURJSA-N
XLogP-0.08
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride
CID 139728153
1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 141220719
1-(1-aminobutyl)imidazo[4,5-c]pyridin-4-amine
CID 166965124
1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]imidazo[4,5-c]pyridin-4-amine
CID 141198873
(2R,3S,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 92852183
[5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 14630171
(2R,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-1-fluorononan-2-ol
CID 10424529
(2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 512705
9-(4-aminobut-2-enyl)purin-6-amine
CID 73233001
9-[(E)-4-chlorobut-2-enyl]purin-6-amine
CID 14408818
(E)-5-(6-aminopurin-9-yl)pent-3-en-2-one
CID 71531295
[(E,3R)-4-(6-aminopurin-9-yl)-3-hydroxybut-1-enyl]phosphonic acid
CID 67880433

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol?
The IUPAC name of (Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol (CID 82371988) is (Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol.
What is the SMILES notation for (Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol?
The canonical SMILES for (Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol is Nc1nccc2c1ncn2C/C=C\C(O)CO.
What is the InChIKey of (Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol?
The InChIKey is XRBAWOBXAHMXLX-UPHRSURJSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-11-10-9(3-4-13-11)15(7-14-10)5-1-2-8(17)6-16/h1-4,7-8,16-17H,5-6H2,(H2,12,13)/b2-1-.
What are the key properties of (Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol?
(Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol has a molecular weight of 234.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol is sourced from PubChem (CID 82371988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).