2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide

C19H15FN6O — CID 162017534

IUPAC2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
SMILESNC(=O)Cc1cccc(-c2cnc3cc(-c4ncc(F)c(N)n4)ccn23)c1
InChIInChI=1S/C19H15FN6O/c20-14-9-24-19(25-18(14)22)13-4-5-26-15(10-23-17(26)8-13)12-3-1-2-11(6-12)7-16(21)27/h1-6,8-10H,7H2,(H2,21,27)(H2,22,24,25)
InChIKeyYUHRUQBREWDYHS-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.21
Rot. Bonds4

About 2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide

2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide (PubChem CID 162017534) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is 2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
PubChem CID162017534
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Name2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
SMILESNC(=O)Cc1cccc(-c2cnc3cc(-c4ncc(F)c(N)n4)ccn23)c1
InChIInChI=1S/C19H15FN6O/c20-14-9-24-19(25-18(14)22)13-4-5-26-15(10-23-17(26)8-13)12-3-1-2-11(6-12)7-16(21)27/h1-6,8-10H,7H2,(H2,21,27)(H2,22,24,25)
InChIKeyYUHRUQBREWDYHS-UHFFFAOYSA-N
XLogP2.21
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[7-[5-(1,1-difluoroethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
CID 147204904
5,5,5-trifluoro-1-[3-[7-(4-propan-2-ylpyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 159734873
1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
CID 162069426
1-[3-[7-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
CID 153028694
5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 157063395
1-[3-[7-[5-fluoro-4-(methylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2,2,2-trifluoroacetic acid
CID 138541469
2-[3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-amine
CID 163646899
1-[3-[7-(5-amino-4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 86766770
3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one
CID 162147656
3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine
CID 118431180
1-[3-(7-acetylimidazo[1,2-a]pyridin-3-yl)phenyl]-5,5,5-trifluoropentan-2-one;3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 91455358
1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone
CID 138548206

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
The IUPAC name of 2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide (CID 162017534) is 2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
The canonical SMILES for 2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide is NC(=O)Cc1cccc(-c2cnc3cc(-c4ncc(F)c(N)n4)ccn23)c1.
What is the InChIKey of 2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
The InChIKey is YUHRUQBREWDYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c20-14-9-24-19(25-18(14)22)13-4-5-26-15(10-23-17(26)8-13)12-3-1-2-11(6-12)7-16(21)27/h1-6,8-10H,7H2,(H2,21,27)(H2,22,24,25).
What are the key properties of 2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide has a molecular weight of 362.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide is sourced from PubChem (CID 162017534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).