3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol

C15H21BrN4O — CID 178046803

IUPAC3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol
SMILESCc1nc2ncc(Br)cc2n1C[C@@H]1CCCN1CCCO
InChIInChI=1S/C15H21BrN4O/c1-11-18-15-14(8-12(16)9-17-15)20(11)10-13-4-2-5-19(13)6-3-7-21/h8-9,13,21H,2-7,10H2,1H3/t13-/m0/s1
InChIKeyZKGWDFSZYFQFRL-ZDUSSCGKSA-N
MW353.26 g/mol
LogP2.35
Rot. Bonds5

About 3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol

3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol (PubChem CID 178046803) has the molecular formula C15H21BrN4O and a molecular weight of 353.26 g/mol. Its IUPAC name is 3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol
PubChem CID178046803
Molecular FormulaC15H21BrN4O
Molecular Weight353.26 g/mol
Exact Mass352.09
IUPAC Name3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol
SMILESCc1nc2ncc(Br)cc2n1C[C@@H]1CCCN1CCCO
InChIInChI=1S/C15H21BrN4O/c1-11-18-15-14(8-12(16)9-17-15)20(11)10-13-4-2-5-19(13)6-3-7-21/h8-9,13,21H,2-7,10H2,1H3/t13-/m0/s1
InChIKeyZKGWDFSZYFQFRL-ZDUSSCGKSA-N
XLogP2.35
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine
CID 178046894
2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine
CID 178046873
2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol
CID 178046918
3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid
CID 178046893
3-[1-[2-(4-bromopyrazol-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 111116526
5-bromo-2-(dimethylamino)-N-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]pyridine-3-carboxamide
CID 97060762
6-bromo-2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine
CID 164601856
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine
CID 114137819
1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758768
3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 63873222
6-bromo-2-(2-chloroethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole
CID 65344877
3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281651

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol (CID 178046803) is 3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol is Cc1nc2ncc(Br)cc2n1C[C@@H]1CCCN1CCCO.
What is the InChIKey of 3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol?
The InChIKey is ZKGWDFSZYFQFRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21BrN4O/c1-11-18-15-14(8-12(16)9-17-15)20(11)10-13-4-2-5-19(13)6-3-7-21/h8-9,13,21H,2-7,10H2,1H3/t13-/m0/s1.
What are the key properties of 3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol?
3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol has a molecular weight of 353.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 178046803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).