N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

C21H21N5O2 — CID 157013712

IUPACN-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCOCc1[nH]nc(NC(=O)Cc2cnc3c(C)cccn23)c1-c1ccccc1
InChIInChI=1S/C21H21N5O2/c1-14-7-6-10-26-16(12-22-21(14)26)11-18(27)23-20-19(15-8-4-3-5-9-15)17(13-28-2)24-25-20/h3-10,12H,11,13H2,1-2H3,(H2,23,24,25,27)
InChIKeyDAQVAWMPVYTWFH-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.36
Rot. Bonds6

About N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 157013712) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID157013712
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCOCc1[nH]nc(NC(=O)Cc2cnc3c(C)cccn23)c1-c1ccccc1
InChIInChI=1S/C21H21N5O2/c1-14-7-6-10-26-16(12-22-21(14)26)11-18(27)23-20-19(15-8-4-3-5-9-15)17(13-28-2)24-25-20/h3-10,12H,11,13H2,1-2H3,(H2,23,24,25,27)
InChIKeyDAQVAWMPVYTWFH-UHFFFAOYSA-N
XLogP3.36
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 157013712) is N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide is COCc1[nH]nc(NC(=O)Cc2cnc3c(C)cccn23)c1-c1ccccc1.
What is the InChIKey of N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is DAQVAWMPVYTWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-7-6-10-26-16(12-22-21(14)26)11-18(27)23-20-19(15-8-4-3-5-9-15)17(13-28-2)24-25-20/h3-10,12H,11,13H2,1-2H3,(H2,23,24,25,27).
What are the key properties of N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-4-phenyl-1H-pyrazol-3-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 157013712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).