3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide

C25H23N5O3 — CID 89070585

IUPAC3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide
SMILESNC(=O)c1cc(N=O)cc(-c2cnc3cc(-c4cccc(CN5CCOCC5)c4)ccn23)c1
InChIInChI=1S/C25H23N5O3/c26-25(31)21-11-20(12-22(13-21)28-32)23-15-27-24-14-19(4-5-30(23)24)18-3-1-2-17(10-18)16-29-6-8-33-9-7-29/h1-5,10-15H,6-9,16H2,(H2,26,31)
InChIKeyLCRCXFUKAMSLRS-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.00
Rot. Bonds6

About 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide

3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide (PubChem CID 89070585) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide.

Molecular Properties

Compound Name3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide
PubChem CID89070585
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide
SMILESNC(=O)c1cc(N=O)cc(-c2cnc3cc(-c4cccc(CN5CCOCC5)c4)ccn23)c1
InChIInChI=1S/C25H23N5O3/c26-25(31)21-11-20(12-22(13-21)28-32)23-15-27-24-14-19(4-5-30(23)24)18-3-1-2-17(10-18)16-29-6-8-33-9-7-29/h1-5,10-15H,6-9,16H2,(H2,26,31)
InChIKeyLCRCXFUKAMSLRS-UHFFFAOYSA-N
XLogP4.00
TPSA102.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide?
The IUPAC name of 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide (CID 89070585) is 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide.
What is the SMILES notation for 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide?
The canonical SMILES for 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide is NC(=O)c1cc(N=O)cc(-c2cnc3cc(-c4cccc(CN5CCOCC5)c4)ccn23)c1.
What is the InChIKey of 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide?
The InChIKey is LCRCXFUKAMSLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c26-25(31)21-11-20(12-22(13-21)28-32)23-15-27-24-14-19(4-5-30(23)24)18-3-1-2-17(10-18)16-29-6-8-33-9-7-29/h1-5,10-15H,6-9,16H2,(H2,26,31).
What are the key properties of 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide?
3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide has a molecular weight of 441.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-5-nitrosobenzamide is sourced from PubChem (CID 89070585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).