(2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol

C15H21BrN4O — CID 135304077

IUPAC(2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol
SMILESCc1c(Br)cnc2c1ncn2CCC[C@H]1NCCC[C@@H]1O
InChIInChI=1S/C15H21BrN4O/c1-10-11(16)8-18-15-14(10)19-9-20(15)7-3-4-12-13(21)5-2-6-17-12/h8-9,12-13,17,21H,2-7H2,1H3/t12-,13+/m1/s1
InChIKeyAASQORKGWAXDKN-OLZOCXBDSA-N
MW353.26 g/mol
LogP2.40
Rot. Bonds4

About (2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol

(2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol (PubChem CID 135304077) has the molecular formula C15H21BrN4O and a molecular weight of 353.26 g/mol. Its IUPAC name is (2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol
PubChem CID135304077
Molecular FormulaC15H21BrN4O
Molecular Weight353.26 g/mol
Exact Mass352.09
IUPAC Name(2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol
SMILESCc1c(Br)cnc2c1ncn2CCC[C@H]1NCCC[C@@H]1O
InChIInChI=1S/C15H21BrN4O/c1-10-11(16)8-18-15-14(10)19-9-20(15)7-3-4-12-13(21)5-2-6-17-12/h8-9,12-13,17,21H,2-7H2,1H3/t12-,13+/m1/s1
InChIKeyAASQORKGWAXDKN-OLZOCXBDSA-N
XLogP2.40
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-[3-(5-bromo-4-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304029
(2R,3S)-2-[3-(5,6-dibromobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304190
(2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol
CID 135304241
(2R,3S)-2-[3-(5-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304185
(2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304084
(2R,3S)-2-[3-(6-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746355
(2R,3S)-2-[3-(5-bromo-6-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746395
(2R,3S)-2-[3-(7-chloro-4-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304233
(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol
CID 135304307
(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746476
(2R,3S)-2-[3-(5-bromo-4-methylbenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol
CID 126716041
2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304147

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol (CID 135304077) is (2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol is Cc1c(Br)cnc2c1ncn2CCC[C@H]1NCCC[C@@H]1O.
What is the InChIKey of (2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol?
The InChIKey is AASQORKGWAXDKN-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21BrN4O/c1-10-11(16)8-18-15-14(10)19-9-20(15)7-3-4-12-13(21)5-2-6-17-12/h8-9,12-13,17,21H,2-7H2,1H3/t12-,13+/m1/s1.
What are the key properties of (2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol?
(2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol has a molecular weight of 353.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[3-(6-bromo-7-methylimidazo[4,5-b]pyridin-3-yl)propyl]piperidin-3-ol is sourced from PubChem (CID 135304077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).