(2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine

C42H36Cl2N10O2 — CID 159018522

IUPAC(2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine
SMILESClc1cccc(-c2nc3nc(N4CCO[C@@H](c5ccccn5)C4)ccc3[nH]2)c1.Clc1cccc(-c2nc3nc(N4CCO[C@H](c5ccccn5)C4)ccc3[nH]2)c1
InChIInChI=1S/2C21H18ClN5O/c2*22-15-5-3-4-14(12-15)20-24-17-7-8-19(25-21(17)26-20)27-10-11-28-18(13-27)16-6-1-2-9-23-16/h2*1-9,12,18H,10-11,13H2,(H,24,25,26)/t2*18-/m10/s1
InChIKeyJTJWPFVVIMKRSZ-JJMXQKMNSA-N
MW783.72 g/mol
LogP8.50
Rot. Bonds6

About (2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine

(2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine (PubChem CID 159018522) has the molecular formula C42H36Cl2N10O2 and a molecular weight of 783.72 g/mol. Its IUPAC name is (2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine.

Molecular Properties

Compound Name(2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine
PubChem CID159018522
Molecular FormulaC42H36Cl2N10O2
Molecular Weight783.72 g/mol
Exact Mass782.24
IUPAC Name(2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine
SMILESClc1cccc(-c2nc3nc(N4CCO[C@@H](c5ccccn5)C4)ccc3[nH]2)c1.Clc1cccc(-c2nc3nc(N4CCO[C@H](c5ccccn5)C4)ccc3[nH]2)c1
InChIInChI=1S/2C21H18ClN5O/c2*22-15-5-3-4-14(12-15)20-24-17-7-8-19(25-21(17)26-20)27-10-11-28-18(13-27)16-6-1-2-9-23-16/h2*1-9,12,18H,10-11,13H2,(H,24,25,26)/t2*18-/m10/s1
InChIKeyJTJWPFVVIMKRSZ-JJMXQKMNSA-N
XLogP8.50
TPSA133.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.72
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine?
The IUPAC name of (2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine (CID 159018522) is (2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine.
What is the SMILES notation for (2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine?
The canonical SMILES for (2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine is Clc1cccc(-c2nc3nc(N4CCO[C@@H](c5ccccn5)C4)ccc3[nH]2)c1.Clc1cccc(-c2nc3nc(N4CCO[C@H](c5ccccn5)C4)ccc3[nH]2)c1.
What is the InChIKey of (2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine?
The InChIKey is JTJWPFVVIMKRSZ-JJMXQKMNSA-N. The full InChI is InChI=1S/2C21H18ClN5O/c2*22-15-5-3-4-14(12-15)20-24-17-7-8-19(25-21(17)26-20)27-10-11-28-18(13-27)16-6-1-2-9-23-16/h2*1-9,12,18H,10-11,13H2,(H,24,25,26)/t2*18-/m10/s1.
What are the key properties of (2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine?
(2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine has a molecular weight of 783.72 g/mol, XLogP of 8.50, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine;(2S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-2-pyridin-2-ylmorpholine is sourced from PubChem (CID 159018522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).