[5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol

C22H22ClN7O — CID 171034292

IUPAC[5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2nc(Cl)c(C3NNNN3)cc21
InChIInChI=1S/C22H22ClN7O/c1-2-30-17-13-16(19-26-28-29-27-19)18(23)24-20(17)25-21(30)22(31,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19,26-29,31H,2H2,1H3
InChIKeyVRMRMEVLOXQWSA-UHFFFAOYSA-N
MW435.92 g/mol
LogP2.50
Rot. Bonds5

About [5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol

[5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol (PubChem CID 171034292) has the molecular formula C22H22ClN7O and a molecular weight of 435.92 g/mol. Its IUPAC name is [5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
PubChem CID171034292
Molecular FormulaC22H22ClN7O
Molecular Weight435.92 g/mol
Exact Mass435.16
IUPAC Name[5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2nc(Cl)c(C3NNNN3)cc21
InChIInChI=1S/C22H22ClN7O/c1-2-30-17-13-16(19-26-28-29-27-19)18(23)24-20(17)25-21(30)22(31,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19,26-29,31H,2H2,1H3
InChIKeyVRMRMEVLOXQWSA-UHFFFAOYSA-N
XLogP2.50
TPSA99.06 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 52.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[1,5-dimethy-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]bis(2-fluorophenyl)methanol
CID 171034295
(6-Chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol
CID 126726250
[3-Ethyl-7-fluoro-6-(1H-tetrazol-5-yl)-imidazo[1,2-a]pyridin-2-yl]-diphenyl-methanol
CID 171034262
[7-Chloro-3-ethyl-6-(1H-tetrazol-5-yl)-imidazo[1,2-a]pyridin-2-yl]-bis-(2-fluoro-phenyl)-methanol
CID 171034264
[1-ethyl-5-fluoro-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]diphenylmethanol
CID 171034288
[1-ethyl-5-fluoro-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]bis(2-fluorophenyl)methanol
CID 171034289
[1-ethyl-5-methyl-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]bis(2-fluorophenyl)methanol
CID 171034297
[1-ethyl-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]bis(2-fluorophenyl)methanol
CID 171034299
[5-methoxy-1-methyl-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]diphenylmethanol
CID 171034276
[3,7-diethyl-6-(1 H-1,2,3,4-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]diphenylmethanol
CID 171034260
[3-Ethyl-6-(1 H-tetrazol-5-yl)-imidazo[1,2-a]pyridin-2-yl]-diphenyl-methanol
CID 171034263
[7-chloro-3-ethyl-6-(1H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-(2-pyridyl)methanol
CID 171034266

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
The IUPAC name of [5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol (CID 171034292) is [5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol.
What is the SMILES notation for [5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
The canonical SMILES for [5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2nc(Cl)c(C3NNNN3)cc21.
What is the InChIKey of [5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
The InChIKey is VRMRMEVLOXQWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7O/c1-2-30-17-13-16(19-26-28-29-27-19)18(23)24-20(17)25-21(30)22(31,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,19,26-29,31H,2H2,1H3.
What are the key properties of [5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol?
[5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol has a molecular weight of 435.92 g/mol, XLogP of 2.50, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-ethyl-6-(tetrazolidin-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol is sourced from PubChem (CID 171034292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).