4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform

C19H20ClF3N4O — CID 176691039

IUPAC4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform
SMILESCc1nc(OC2CCCCC2)cc(-c2c[nH]c3ccnc(Cl)c23)n1.FC(F)F
InChIInChI=1S/C18H19ClN4O.CHF3/c1-11-22-15(9-16(23-11)24-12-5-3-2-4-6-12)13-10-21-14-7-8-20-18(19)17(13)14;2-1(3)4/h7-10,12,21H,2-6H2,1H3;1H
InChIKeyIZAFSLZWEPGAGH-UHFFFAOYSA-N
MW412.84 g/mol
LogP5.87
Rot. Bonds3

About 4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform

4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform (PubChem CID 176691039) has the molecular formula C19H20ClF3N4O and a molecular weight of 412.84 g/mol. Its IUPAC name is 4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform.

Molecular Properties

Compound Name4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform
PubChem CID176691039
Molecular FormulaC19H20ClF3N4O
Molecular Weight412.84 g/mol
Exact Mass412.13
IUPAC Name4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform
SMILESCc1nc(OC2CCCCC2)cc(-c2c[nH]c3ccnc(Cl)c23)n1.FC(F)F
InChIInChI=1S/C18H19ClN4O.CHF3/c1-11-22-15(9-16(23-11)24-12-5-3-2-4-6-12)13-10-21-14-7-8-20-18(19)17(13)14;2-1(3)4/h7-10,12,21H,2-6H2,1H3;1H
InChIKeyIZAFSLZWEPGAGH-UHFFFAOYSA-N
XLogP5.87
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.84
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine
CID 176690781
4-cyclobutyloxy-2,6-dimethylpyrimidine
CID 126953843
4-chloro-3-methyl-1H-pyrrolo[3,2-c]pyridine;ethane
CID 145441164
2-cyclopentyloxy-4-methylpyridine
CID 18779821
CID 177057594
CID 177057594
4-cyclopentyloxypyrimidin-2-amine
CID 80861271
2-cyclohexyloxy-4-iodopyridine
CID 89498049
2-cycloheptyloxypyridine-4-carbonitrile
CID 61071944
2-chloro-N-cyclododecyl-4-methylpyridin-3-amine
CID 65485507
6-(3-methoxycyclohexyl)oxy-N,2-dimethylpyrimidin-4-amine
CID 80876574
2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
CID 177057431
3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine
CID 79465433

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform?
The IUPAC name of 4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform (CID 176691039) is 4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform.
What is the SMILES notation for 4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform?
The canonical SMILES for 4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform is Cc1nc(OC2CCCCC2)cc(-c2c[nH]c3ccnc(Cl)c23)n1.FC(F)F.
What is the InChIKey of 4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform?
The InChIKey is IZAFSLZWEPGAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O.CHF3/c1-11-22-15(9-16(23-11)24-12-5-3-2-4-6-12)13-10-21-14-7-8-20-18(19)17(13)14;2-1(3)4/h7-10,12,21H,2-6H2,1H3;1H.
What are the key properties of 4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform?
4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform has a molecular weight of 412.84 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(6-cyclohexyloxy-2-methylpyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;fluoroform is sourced from PubChem (CID 176691039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).