2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane

C19H24ClN3OS — CID 164564728

IUPAC2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane
SMILESCc1cc(-c2cc3cnc(Cl)cc3n2COCCS(C)(C)C)ccn1
InChIInChI=1S/C19H24ClN3OS/c1-14-9-15(5-6-21-14)17-10-16-12-22-19(20)11-18(16)23(17)13-24-7-8-25(2,3)4/h5-6,9-12H,7-8,13H2,1-4H3
InChIKeyDOZILADZDLUGTF-UHFFFAOYSA-N
MW377.94 g/mol
LogP4.73
Rot. Bonds6

About 2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane

2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane (PubChem CID 164564728) has the molecular formula C19H24ClN3OS and a molecular weight of 377.94 g/mol. Its IUPAC name is 2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane
PubChem CID164564728
Molecular FormulaC19H24ClN3OS
Molecular Weight377.94 g/mol
Exact Mass377.13
IUPAC Name2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane
SMILESCc1cc(-c2cc3cnc(Cl)cc3n2COCCS(C)(C)C)ccn1
InChIInChI=1S/C19H24ClN3OS/c1-14-9-15(5-6-21-14)17-10-16-12-22-19(20)11-18(16)23(17)13-24-7-8-25(2,3)4/h5-6,9-12H,7-8,13H2,1-4H3
InChIKeyDOZILADZDLUGTF-UHFFFAOYSA-N
XLogP4.73
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile
CID 169097833
2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 157374933
2-[(4-chloroimidazol-1-yl)methoxy]ethyl-trimethyl-λ4-sulfane
CID 138712713
2-[[4-chloro-6-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethyl-λ4-sulfane
CID 171513234
N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097851
1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine
CID 164564724
2-chloro-7-cyclohexyl-6-(2-methyl-4-pyridinyl)pyrrolo[2,3-d]pyrimidine
CID 177186493
3-chloro-7-methyl-2,6-naphthyridine
CID 163219656
2-(6-methylpyrimidin-4-yl)-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-amine
CID 169097868
6-chloro-2-(2-ethenylpyrimidin-4-yl)-1-methylpyrrolo[3,2-c]pyridine
CID 164564837
4-chloro-6-(2-methyl-4-pyridinyl)-1,3,5-triazin-2-amine
CID 106754507
10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58382420

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane?
The IUPAC name of 2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane (CID 164564728) is 2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane.
What is the SMILES notation for 2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane?
The canonical SMILES for 2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane is Cc1cc(-c2cc3cnc(Cl)cc3n2COCCS(C)(C)C)ccn1.
What is the InChIKey of 2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane?
The InChIKey is DOZILADZDLUGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3OS/c1-14-9-15(5-6-21-14)17-10-16-12-22-19(20)11-18(16)23(17)13-24-7-8-25(2,3)4/h5-6,9-12H,7-8,13H2,1-4H3.
What are the key properties of 2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane?
2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane has a molecular weight of 377.94 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethyl-λ4-sulfane is sourced from PubChem (CID 164564728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).