6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine

C29H24Cl2N6O2 — CID 158719632

IUPAC6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine
SMILESClc1cc2[nH]cnc2c(OCc2ccccc2)n1.Clc1cc2ncn(C3CC3)c2c(OCc2ccccc2)n1
InChIInChI=1S/C16H14ClN3O.C13H10ClN3O/c17-14-8-13-15(20(10-18-13)12-6-7-12)16(19-14)21-9-11-4-2-1-3-5-11;14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9/h1-5,8,10,12H,6-7,9H2;1-6,8H,7H2,(H,15,16)
InChIKeyIJTCEFDMUCMNPO-UHFFFAOYSA-N
MW559.46 g/mol
LogP7.19
Rot. Bonds7

About 6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine

6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine (PubChem CID 158719632) has the molecular formula C29H24Cl2N6O2 and a molecular weight of 559.46 g/mol. Its IUPAC name is 6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine
PubChem CID158719632
Molecular FormulaC29H24Cl2N6O2
Molecular Weight559.46 g/mol
Exact Mass558.13
IUPAC Name6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine
SMILESClc1cc2[nH]cnc2c(OCc2ccccc2)n1.Clc1cc2ncn(C3CC3)c2c(OCc2ccccc2)n1
InChIInChI=1S/C16H14ClN3O.C13H10ClN3O/c17-14-8-13-15(20(10-18-13)12-6-7-12)16(19-14)21-9-11-4-2-1-3-5-11;14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9/h1-5,8,10,12H,6-7,9H2;1-6,8H,7H2,(H,15,16)
InChIKeyIJTCEFDMUCMNPO-UHFFFAOYSA-N
XLogP7.19
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.46
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine
CID 22340732
6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine
CID 20820677
3-[7-(1-cyclohexylbenzimidazol-5-yl)-4-phenylmethoxypyrrolo[3,2-d]pyrimidin-5-yl]cyclohexan-1-ol
CID 118339139
5-chloro-1-(cyclopropylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11617419
7-bromo-3-chloro-1-phenylmethoxyisoquinoline
CID 86677086
2-bromo-5-chloro-3-phenylmethoxypyrazine
CID 121218855
6-chloro-1-phenyl-3-phenylmethoxypyrazolo[4,3-c]pyridine
CID 164548917
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
3-(azetidin-3-yloxy)-5-chloro-2-phenylmethoxypyridine
CID 58405049
5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole
CID 102940721
(3,5-dichloro-6-phenylmethoxy-2-pyridinyl)hydrazine
CID 102762715
4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine
CID 80974375

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine (CID 158719632) is 6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine is Clc1cc2[nH]cnc2c(OCc2ccccc2)n1.Clc1cc2ncn(C3CC3)c2c(OCc2ccccc2)n1.
What is the InChIKey of 6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine?
The InChIKey is IJTCEFDMUCMNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O.C13H10ClN3O/c17-14-8-13-15(20(10-18-13)12-6-7-12)16(19-14)21-9-11-4-2-1-3-5-11;14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9/h1-5,8,10,12H,6-7,9H2;1-6,8H,7H2,(H,15,16).
What are the key properties of 6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine?
6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine has a molecular weight of 559.46 g/mol, XLogP of 7.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclopropyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 158719632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).