(5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine

C17H23ClN4O2 — CID 122369895

IUPAC(5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
SMILESCCC[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21
InChIInChI=1S/C17H23ClN4O2/c1-3-4-14-9-12(2)16(22(23)24)17-20(7-8-21(14)17)11-13-5-6-15(18)19-10-13/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3/t12-,14-/m1/s1
InChIKeyCKDKVJGNVIUFCL-TZMCWYRMSA-N
MW350.85 g/mol
LogP3.51
Rot. Bonds5

About (5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine

(5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine (PubChem CID 122369895) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is (5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name(5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
PubChem CID122369895
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name(5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
SMILESCCC[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21
InChIInChI=1S/C17H23ClN4O2/c1-3-4-14-9-12(2)16(22(23)24)17-20(7-8-21(14)17)11-13-5-6-15(18)19-10-13/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3/t12-,14-/m1/s1
InChIKeyCKDKVJGNVIUFCL-TZMCWYRMSA-N
XLogP3.51
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine 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

(7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
CID 172825826
1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-prop-2-enoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
CID 44571883
1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-5-propoxy-7-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
CID 44571986
(1R)-5-[(6-chloro-3-pyridinyl)methyl]-7-nitro-11-oxa-2,5-diazatricyclo[6.2.1.02,6]undec-6-ene
CID 175540746
N-(4-chlorophenyl)-5-[(6-chloro-3-pyridinyl)methyl]-7-nitro-2,5,12-triazatricyclo[6.3.1.02,6]dodec-6-en-12-amine
CID 102127232
2-chloro-5-[[(2E)-3-ethyl-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
CID 101135006
1-[(6-chloro-3-pyridinyl)methyl]-5,6-dimethoxy-5-methyl-7-nitro-3,6-dihydro-2H-pyrrolo[1,2-a]imidazole
CID 71517943
1-[(6-chloro-3-pyridinyl)methyl]-5-methoxy-7-nitro-3,6-dihydro-2H-pyrrolo[1,2-a]imidazole-5,6-diol
CID 89392550
1-[(6-chloro-3-pyridinyl)methyl]-6-methyl-8-nitro-2,3,4,7-tetrahydropyrrolo[1,2-a]pyrimidine-6,7-diol
CID 89392554
N-[2-[1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-6-yl]ethyl]acetamide
CID 54015929
5-amino-1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,7-dihydro-2H-imidazo[1,2-a]pyridine-6-carbonitrile
CID 45278118
5-amino-1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-(4-nitrophenyl)-3,7-dihydro-2H-imidazo[1,2-a]pyridine-6-carbonitrile
CID 45278119

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine?
The IUPAC name of (5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine (CID 122369895) is (5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine.
What is the SMILES notation for (5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine?
The canonical SMILES for (5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine is CCC[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21.
What is the InChIKey of (5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine?
The InChIKey is CKDKVJGNVIUFCL-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-3-4-14-9-12(2)16(22(23)24)17-20(7-8-21(14)17)11-13-5-6-15(18)19-10-13/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine?
(5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine has a molecular weight of 350.85 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 122369895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).