N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine

C21H22FN7 — CID 155526334

IUPACN-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C21H22FN7/c1-28(2)12-10-24-16-8-11-29-18(13-16)27-19(14-3-5-15(22)6-4-14)20(29)17-7-9-25-21(23)26-17/h3-9,11,13,24H,10,12H2,1-2H3,(H2,23,25,26)
InChIKeyWGDQDKQHVAUICW-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.15
Rot. Bonds6

About N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine

N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 155526334) has the molecular formula C21H22FN7 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID155526334
Molecular FormulaC21H22FN7
Molecular Weight391.45 g/mol
Exact Mass391.19
IUPAC NameN-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C21H22FN7/c1-28(2)12-10-24-16-8-11-29-18(13-16)27-19(14-3-5-15(22)6-4-14)20(29)17-7-9-25-21(23)26-17/h3-9,11,13,24H,10,12H2,1-2H3,(H2,23,25,26)
InChIKeyWGDQDKQHVAUICW-UHFFFAOYSA-N
XLogP3.15
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine (CID 155526334) is N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is WGDQDKQHVAUICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7/c1-28(2)12-10-24-16-8-11-29-18(13-16)27-19(14-3-5-15(22)6-4-14)20(29)17-7-9-25-21(23)26-17/h3-9,11,13,24H,10,12H2,1-2H3,(H2,23,25,26).
What are the key properties of N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine?
N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 391.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 155526334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).