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

C19H19ClN4O3 — CID 44571771

IUPAC1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol
SMILESO=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2C(O)CC1c1ccccc1
InChIInChI=1S/C19H19ClN4O3/c20-16-7-6-13(11-21-16)12-22-8-9-23-17(25)10-15(14-4-2-1-3-5-14)18(19(22)23)24(26)27/h1-7,11,15,17,25H,8-10,12H2
InChIKeyRHQQBOMMVMDSSA-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.80
Rot. Bonds4

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

1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol (PubChem CID 44571771) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol
PubChem CID44571771
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol
SMILESO=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2C(O)CC1c1ccccc1
InChIInChI=1S/C19H19ClN4O3/c20-16-7-6-13(11-21-16)12-22-8-9-23-17(25)10-15(14-4-2-1-3-5-14)18(19(22)23)24(26)27/h1-7,11,15,17,25H,8-10,12H2
InChIKeyRHQQBOMMVMDSSA-UHFFFAOYSA-N
XLogP2.80
TPSA82.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol (CID 44571771) is 1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol is O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2C(O)CC1c1ccccc1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol?
The InChIKey is RHQQBOMMVMDSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c20-16-7-6-13(11-21-16)12-22-8-9-23-17(25)10-15(14-4-2-1-3-5-14)18(19(22)23)24(26)27/h1-7,11,15,17,25H,8-10,12H2.
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol?
1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol has a molecular weight of 386.84 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol is sourced from PubChem (CID 44571771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).