4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide

C25H26N6O3 — CID 162664937

IUPAC4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cn[nH]c2-c2ncc(-c3ccc(CN4CCOCC4)cc3)[nH]2)cc1
InChIInChI=1S/C25H26N6O3/c1-33-20-8-6-19(7-9-20)25(32)29-22-15-27-30-23(22)24-26-14-21(28-24)18-4-2-17(3-5-18)16-31-10-12-34-13-11-31/h2-9,14-15H,10-13,16H2,1H3,(H,26,28)(H,27,30)(H,29,32)
InChIKeyTVOOLZURINZODH-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.56
Rot. Bonds7

About 4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide

4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide (PubChem CID 162664937) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide
PubChem CID162664937
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cn[nH]c2-c2ncc(-c3ccc(CN4CCOCC4)cc3)[nH]2)cc1
InChIInChI=1S/C25H26N6O3/c1-33-20-8-6-19(7-9-20)25(32)29-22-15-27-30-23(22)24-26-14-21(28-24)18-4-2-17(3-5-18)16-31-10-12-34-13-11-31/h2-9,14-15H,10-13,16H2,1H3,(H,26,28)(H,27,30)(H,29,32)
InChIKeyTVOOLZURINZODH-UHFFFAOYSA-N
XLogP3.56
TPSA108.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide (CID 162664937) is 4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide is COc1ccc(C(=O)Nc2cn[nH]c2-c2ncc(-c3ccc(CN4CCOCC4)cc3)[nH]2)cc1.
What is the InChIKey of 4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
The InChIKey is TVOOLZURINZODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-33-20-8-6-19(7-9-20)25(32)29-22-15-27-30-23(22)24-26-14-21(28-24)18-4-2-17(3-5-18)16-31-10-12-34-13-11-31/h2-9,14-15H,10-13,16H2,1H3,(H,26,28)(H,27,30)(H,29,32).
What are the key properties of 4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide?
4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide has a molecular weight of 458.52 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-[5-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 162664937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).