(2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol

C17H19BrN4O — CID 164641067

IUPAC(2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol
SMILESCc1cc(Br)cn2c(CNC[C@@H](CO)c3cccnc3)cnc12
InChIInChI=1S/C17H19BrN4O/c1-12-5-15(18)10-22-16(9-21-17(12)22)8-20-7-14(11-23)13-3-2-4-19-6-13/h2-6,9-10,14,20,23H,7-8,11H2,1H3/t14-/m0/s1
InChIKeyZGZDZPYDAKHVKF-AWEZNQCLSA-N
MW375.27 g/mol
LogP2.67
Rot. Bonds6

About (2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol

(2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol (PubChem CID 164641067) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is (2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol
PubChem CID164641067
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name(2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol
SMILESCc1cc(Br)cn2c(CNC[C@@H](CO)c3cccnc3)cnc12
InChIInChI=1S/C17H19BrN4O/c1-12-5-15(18)10-22-16(9-21-17(12)22)8-20-7-14(11-23)13-3-2-4-19-6-13/h2-6,9-10,14,20,23H,7-8,11H2,1H3/t14-/m0/s1
InChIKeyZGZDZPYDAKHVKF-AWEZNQCLSA-N
XLogP2.67
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol?
The IUPAC name of (2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol (CID 164641067) is (2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for (2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol?
The canonical SMILES for (2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol is Cc1cc(Br)cn2c(CNC[C@@H](CO)c3cccnc3)cnc12.
What is the InChIKey of (2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol?
The InChIKey is ZGZDZPYDAKHVKF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-12-5-15(18)10-22-16(9-21-17(12)22)8-20-7-14(11-23)13-3-2-4-19-6-13/h2-6,9-10,14,20,23H,7-8,11H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol?
(2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol has a molecular weight of 375.27 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(6-bromo-8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 164641067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).