2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide

C29H29N5O4 — CID 162712864

IUPAC2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1
InChIInChI=1S/C29H29N5O4/c35-28(18-34-10-12-36-13-11-34)33-27-16-24(8-9-30-27)38-23-6-7-26-21(15-23)14-22(19-37-26)29-31-17-25(32-29)20-4-2-1-3-5-20/h1-9,15-17,22H,10-14,18-19H2,(H,31,32)(H,30,33,35)
InChIKeyHSIXHPTYDCPOAZ-UHFFFAOYSA-N
MW511.58 g/mol
LogP4.25
Rot. Bonds7

About 2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide

2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide (PubChem CID 162712864) has the molecular formula C29H29N5O4 and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide
PubChem CID162712864
Molecular FormulaC29H29N5O4
Molecular Weight511.58 g/mol
Exact Mass511.22
IUPAC Name2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1
InChIInChI=1S/C29H29N5O4/c35-28(18-34-10-12-36-13-11-34)33-27-16-24(8-9-30-27)38-23-6-7-26-21(15-23)14-22(19-37-26)29-31-17-25(32-29)20-4-2-1-3-5-20/h1-9,15-17,22H,10-14,18-19H2,(H,31,32)(H,30,33,35)
InChIKeyHSIXHPTYDCPOAZ-UHFFFAOYSA-N
XLogP4.25
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide (CID 162712864) is 2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide is O=C(CN1CCOCC1)Nc1cc(Oc2ccc3c(c2)CC(c2ncc(-c4ccccc4)[nH]2)CO3)ccn1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide?
The InChIKey is HSIXHPTYDCPOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O4/c35-28(18-34-10-12-36-13-11-34)33-27-16-24(8-9-30-27)38-23-6-7-26-21(15-23)14-22(19-37-26)29-31-17-25(32-29)20-4-2-1-3-5-20/h1-9,15-17,22H,10-14,18-19H2,(H,31,32)(H,30,33,35).
What are the key properties of 2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide?
2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide has a molecular weight of 511.58 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 162712864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).