8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol

C13H19ClN4O2 — CID 132601711

IUPAC8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol
SMILESNC1C(O)CC(O)N2CCN(Cc3ccc(Cl)nc3)C12
InChIInChI=1S/C13H19ClN4O2/c14-10-2-1-8(6-16-10)7-17-3-4-18-11(20)5-9(19)12(15)13(17)18/h1-2,6,9,11-13,19-20H,3-5,7,15H2
InChIKeyKUMDHRIUMXINFH-UHFFFAOYSA-N
MW298.77 g/mol
LogP-0.41
Rot. Bonds2

About 8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol

8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol (PubChem CID 132601711) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol.

Molecular Properties

Compound Name8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol
PubChem CID132601711
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol
SMILESNC1C(O)CC(O)N2CCN(Cc3ccc(Cl)nc3)C12
InChIInChI=1S/C13H19ClN4O2/c14-10-2-1-8(6-16-10)7-17-3-4-18-11(20)5-9(19)12(15)13(17)18/h1-2,6,9,11-13,19-20H,3-5,7,15H2
InChIKeyKUMDHRIUMXINFH-UHFFFAOYSA-N
XLogP-0.41
TPSA85.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol with MolForge

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Related Compounds

1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
(6-chloro-3-pyridinyl)methyl (2S)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 86329287
[(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide
CID 97012606
4-[(6-chloro-3-pyridinyl)methyl]-2,3-dimethylthiomorpholine
CID 115635244
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321888
1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine
CID 55167435
1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898564
2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine
CID 178122205
(4R)-2-[(6-chloro-3-pyridinyl)methyl]-1,2-oxazolidin-4-ol
CID 130523883
2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide
CID 54949208
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol?
The IUPAC name of 8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol (CID 132601711) is 8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol.
What is the SMILES notation for 8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol?
The canonical SMILES for 8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol is NC1C(O)CC(O)N2CCN(Cc3ccc(Cl)nc3)C12.
What is the InChIKey of 8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol?
The InChIKey is KUMDHRIUMXINFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c14-10-2-1-8(6-16-10)7-17-3-4-18-11(20)5-9(19)12(15)13(17)18/h1-2,6,9,11-13,19-20H,3-5,7,15H2.
What are the key properties of 8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol?
8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol has a molecular weight of 298.77 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-[(6-chloro-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine-5,7-diol is sourced from PubChem (CID 132601711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).