3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C27H25N5O2 — CID 24617460

IUPAC3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCc1cccn2cc(COc3cccc(C(=O)NCc4ccccc4Cn4cccn4)c3)nc12
InChIInChI=1S/C27H25N5O2/c1-20-7-5-13-31-18-24(30-26(20)31)19-34-25-11-4-10-21(15-25)27(33)28-16-22-8-2-3-9-23(22)17-32-14-6-12-29-32/h2-15,18H,16-17,19H2,1H3,(H,28,33)
InChIKeyDZVWGCRKCNHNFY-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.40
Rot. Bonds8

About 3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 24617460) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID24617460
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCc1cccn2cc(COc3cccc(C(=O)NCc4ccccc4Cn4cccn4)c3)nc12
InChIInChI=1S/C27H25N5O2/c1-20-7-5-13-31-18-24(30-26(20)31)19-34-25-11-4-10-21(15-25)27(33)28-16-22-8-2-3-9-23(22)17-32-14-6-12-29-32/h2-15,18H,16-17,19H2,1H3,(H,28,33)
InChIKeyDZVWGCRKCNHNFY-UHFFFAOYSA-N
XLogP4.40
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 24617460) is 3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is Cc1cccn2cc(COc3cccc(C(=O)NCc4ccccc4Cn4cccn4)c3)nc12.
What is the InChIKey of 3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is DZVWGCRKCNHNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-20-7-5-13-31-18-24(30-26(20)31)19-34-25-11-4-10-21(15-25)27(33)28-16-22-8-2-3-9-23(22)17-32-14-6-12-29-32/h2-15,18H,16-17,19H2,1H3,(H,28,33).
What are the key properties of 3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 451.53 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 24617460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).