1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone

C20H17N5O — CID 138548206

IUPAC1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone
SMILESCNc1cccc(-c2cnc3cc(-c4ncc(C(C)=O)cn4)ccn23)c1
InChIInChI=1S/C20H17N5O/c1-13(26)16-10-23-20(24-11-16)15-6-7-25-18(12-22-19(25)9-15)14-4-3-5-17(8-14)21-2/h3-12,21H,1-2H3
InChIKeyHTCKPJMXKJYJPI-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.70
Rot. Bonds4

About 1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone

1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone (PubChem CID 138548206) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone
PubChem CID138548206
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone
SMILESCNc1cccc(-c2cnc3cc(-c4ncc(C(C)=O)cn4)ccn23)c1
InChIInChI=1S/C20H17N5O/c1-13(26)16-10-23-20(24-11-16)15-6-7-25-18(12-22-19(25)9-15)14-4-3-5-17(8-14)21-2/h3-12,21H,1-2H3
InChIKeyHTCKPJMXKJYJPI-UHFFFAOYSA-N
XLogP3.70
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[7-(4-methylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 143707013
N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
CID 59321077
2-[3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-amine
CID 163646899
[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 91112338
N-methyl-4-[3-[3-(1,3,4-thiadiazol-2-ylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 24957399
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
N-(3-acetylphenyl)-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68621927
1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
CID 59320921
3-[7-[3-(ethylamino)-2-methylphenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 174600872
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-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
1-[3-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320990

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone (CID 138548206) is 1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone is CNc1cccc(-c2cnc3cc(-c4ncc(C(C)=O)cn4)ccn23)c1.
What is the InChIKey of 1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone?
The InChIKey is HTCKPJMXKJYJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13(26)16-10-23-20(24-11-16)15-6-7-25-18(12-22-19(25)9-15)14-4-3-5-17(8-14)21-2/h3-12,21H,1-2H3.
What are the key properties of 1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone?
1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone has a molecular weight of 343.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 138548206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).