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

C44H40Cl2N10O2 — CID 159912387

IUPAC(2R,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine;(2S,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine
SMILESC[C@H]1CO[C@@H](c2ccccn2)CN1c1ccc2[nH]c(-c3cccc(Cl)c3)nc2n1.C[C@H]1CO[C@H](c2ccccn2)CN1c1ccc2[nH]c(-c3cccc(Cl)c3)nc2n1
InChIInChI=1S/2C22H20ClN5O/c2*1-14-13-29-19(17-7-2-3-10-24-17)12-28(14)20-9-8-18-22(26-20)27-21(25-18)15-5-4-6-16(23)11-15/h2*2-11,14,19H,12-13H2,1H3,(H,25,26,27)/t14-,19+;14-,19-/m00/s1
InChIKeyNXIPZGQKNKQKPB-FZDPBIAYSA-N
MW811.78 g/mol
LogP9.28
Rot. Bonds6

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

(2R,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine;(2S,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine (PubChem CID 159912387) has the molecular formula C44H40Cl2N10O2 and a molecular weight of 811.78 g/mol. Its IUPAC name is (2R,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine;(2S,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine.

Molecular Properties

Compound Name(2R,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine;(2S,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine
PubChem CID159912387
Molecular FormulaC44H40Cl2N10O2
Molecular Weight811.78 g/mol
Exact Mass810.27
IUPAC Name(2R,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine;(2S,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine
SMILESC[C@H]1CO[C@@H](c2ccccn2)CN1c1ccc2[nH]c(-c3cccc(Cl)c3)nc2n1.C[C@H]1CO[C@H](c2ccccn2)CN1c1ccc2[nH]c(-c3cccc(Cl)c3)nc2n1
InChIInChI=1S/2C22H20ClN5O/c2*1-14-13-29-19(17-7-2-3-10-24-17)12-28(14)20-9-8-18-22(26-20)27-21(25-18)15-5-4-6-16(23)11-15/h2*2-11,14,19H,12-13H2,1H3,(H,25,26,27)/t14-,19+;14-,19-/m00/s1
InChIKeyNXIPZGQKNKQKPB-FZDPBIAYSA-N
XLogP9.28
TPSA133.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.78
LogP ≤ 59.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine;(2S,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine?
The IUPAC name of (2R,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine;(2S,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine (CID 159912387) is (2R,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine;(2S,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine.
What is the SMILES notation for (2R,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine;(2S,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine?
The canonical SMILES for (2R,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine;(2S,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine is C[C@H]1CO[C@@H](c2ccccn2)CN1c1ccc2[nH]c(-c3cccc(Cl)c3)nc2n1.C[C@H]1CO[C@H](c2ccccn2)CN1c1ccc2[nH]c(-c3cccc(Cl)c3)nc2n1.
What is the InChIKey of (2R,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine;(2S,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine?
The InChIKey is NXIPZGQKNKQKPB-FZDPBIAYSA-N. The full InChI is InChI=1S/2C22H20ClN5O/c2*1-14-13-29-19(17-7-2-3-10-24-17)12-28(14)20-9-8-18-22(26-20)27-21(25-18)15-5-4-6-16(23)11-15/h2*2-11,14,19H,12-13H2,1H3,(H,25,26,27)/t14-,19+;14-,19-/m00/s1.
What are the key properties of (2R,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine;(2S,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine?
(2R,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine;(2S,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine has a molecular weight of 811.78 g/mol, XLogP of 9.28, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine;(2S,5S)-4-[2-(3-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-5-methyl-2-pyridin-2-ylmorpholine is sourced from PubChem (CID 159912387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).