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

C14H17ClN4O2 — CID 172825826

IUPAC(7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
SMILESC[C@@H]1CCN2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-]
InChIInChI=1S/C14H17ClN4O2/c1-10-4-5-17-6-7-18(14(17)13(10)19(20)21)9-11-2-3-12(15)16-8-11/h2-3,8,10H,4-7,9H2,1H3/t10-/m1/s1
InChIKeyUVRKRQVAIIIOMV-SNVBAGLBSA-N
MW308.77 g/mol
LogP2.34
Rot. Bonds3

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

(7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine (PubChem CID 172825826) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is (7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name(7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
PubChem CID172825826
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name(7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
SMILESC[C@@H]1CCN2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-]
InChIInChI=1S/C14H17ClN4O2/c1-10-4-5-17-6-7-18(14(17)13(10)19(20)21)9-11-2-3-12(15)16-8-11/h2-3,8,10H,4-7,9H2,1H3/t10-/m1/s1
InChIKeyUVRKRQVAIIIOMV-SNVBAGLBSA-N
XLogP2.34
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.34
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'}

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Related Compounds

(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
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
(1R)-5-[(6-chloro-3-pyridinyl)methyl]-7-nitro-11-oxa-2,5-diazatricyclo[6.2.1.02,6]undec-6-ene
CID 175540746
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]-5,6-dimethoxy-5-methyl-7-nitro-3,6-dihydro-2H-pyrrolo[1,2-a]imidazole
CID 71517943
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
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-(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
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
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

Frequently Asked Questions

What is the IUPAC name of (7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine?
The IUPAC name of (7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine (CID 172825826) is (7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine.
What is the SMILES notation for (7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine?
The canonical SMILES for (7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine is C[C@@H]1CCN2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-].
What is the InChIKey of (7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine?
The InChIKey is UVRKRQVAIIIOMV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-10-4-5-17-6-7-18(14(17)13(10)19(20)21)9-11-2-3-12(15)16-8-11/h2-3,8,10H,4-7,9H2,1H3/t10-/m1/s1.
What are the key properties of (7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine?
(7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine has a molecular weight of 308.77 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 172825826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).