4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine

C19H19ClFN3O — CID 176690781

IUPAC4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine
SMILESCC1CCC(Oc2cc(-c3c[nH]c4ccnc(Cl)c34)ncc2F)CC1
InChIInChI=1S/C19H19ClFN3O/c1-11-2-4-12(5-3-11)25-17-8-16(24-10-14(17)21)13-9-23-15-6-7-22-19(20)18(13)15/h6-12,23H,2-5H2,1H3
InChIKeyCTMWUJBSZMDWPL-UHFFFAOYSA-N
MW359.83 g/mol
LogP5.37
Rot. Bonds3

About 4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine

4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine (PubChem CID 176690781) has the molecular formula C19H19ClFN3O and a molecular weight of 359.83 g/mol. Its IUPAC name is 4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine
PubChem CID176690781
Molecular FormulaC19H19ClFN3O
Molecular Weight359.83 g/mol
Exact Mass359.12
IUPAC Name4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine
SMILESCC1CCC(Oc2cc(-c3c[nH]c4ccnc(Cl)c34)ncc2F)CC1
InChIInChI=1S/C19H19ClFN3O/c1-11-2-4-12(5-3-11)25-17-8-16(24-10-14(17)21)13-9-23-15-6-7-22-19(20)18(13)15/h6-12,23H,2-5H2,1H3
InChIKeyCTMWUJBSZMDWPL-UHFFFAOYSA-N
XLogP5.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.83
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform
CID 176691039
5-chloro-3-fluoro-2-(4-methylcyclohexyl)oxypyridine
CID 79727198
4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane
CID 145441164
2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline
CID 64750398
2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine
CID 163394586
5-chloro-2-(4-methylcyclohexyl)oxyaniline
CID 43094022
1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene
CID 82727193
5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid
CID 55138471
4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
CID 64748332
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
5-cyclopropyloxy-2,3-difluoropyridine
CID 130057394
(1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 78999288

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine (CID 176690781) is 4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine is CC1CCC(Oc2cc(-c3c[nH]c4ccnc(Cl)c34)ncc2F)CC1.
What is the InChIKey of 4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is CTMWUJBSZMDWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O/c1-11-2-4-12(5-3-11)25-17-8-16(24-10-14(17)21)13-9-23-15-6-7-22-19(20)18(13)15/h6-12,23H,2-5H2,1H3.
What are the key properties of 4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine?
4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 359.83 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 176690781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).