(1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine

C16H18N4O — CID 70922538

IUPAC(1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine
SMILESCC[C@H](N)c1nc2ccc(OC)nc2n1-c1ccccc1
InChIInChI=1S/C16H18N4O/c1-3-12(17)15-18-13-9-10-14(21-2)19-16(13)20(15)11-7-5-4-6-8-11/h4-10,12H,3,17H2,1-2H3/t12-/m0/s1
InChIKeyHTFLWUZOAPWXGB-LBPRGKRZSA-N
MW282.35 g/mol
LogP2.84
Rot. Bonds4

About (1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine

(1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine (PubChem CID 70922538) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine
PubChem CID70922538
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine
SMILESCC[C@H](N)c1nc2ccc(OC)nc2n1-c1ccccc1
InChIInChI=1S/C16H18N4O/c1-3-12(17)15-18-13-9-10-14(21-2)19-16(13)20(15)11-7-5-4-6-8-11/h4-10,12H,3,17H2,1-2H3/t12-/m0/s1
InChIKeyHTFLWUZOAPWXGB-LBPRGKRZSA-N
XLogP2.84
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine?
The IUPAC name of (1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine (CID 70922538) is (1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine is CC[C@H](N)c1nc2ccc(OC)nc2n1-c1ccccc1.
What is the InChIKey of (1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine?
The InChIKey is HTFLWUZOAPWXGB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-12(17)15-18-13-9-10-14(21-2)19-16(13)20(15)11-7-5-4-6-8-11/h4-10,12H,3,17H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine?
(1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methoxy-3-phenylimidazo[4,5-b]pyridin-2-yl)propan-1-amine is sourced from PubChem (CID 70922538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).