4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C22H22FN7 — CID 24887878

IUPAC4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN1CCN(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C22H22FN7/c1-28-10-12-29(13-11-28)17-7-9-30-19(14-17)27-20(15-2-4-16(23)5-3-15)21(30)18-6-8-25-22(24)26-18/h2-9,14H,10-13H2,1H3,(H2,24,25,26)
InChIKeyXVQINWFFGGGWAK-UHFFFAOYSA-N
MW403.47 g/mol
LogP2.93
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24887878) has the molecular formula C22H22FN7 and a molecular weight of 403.47 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24887878
Molecular FormulaC22H22FN7
Molecular Weight403.47 g/mol
Exact Mass403.19
IUPAC Name4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN1CCN(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1
InChIInChI=1S/C22H22FN7/c1-28-10-12-29(13-11-28)17-7-9-30-19(14-17)27-20(15-2-4-16(23)5-3-15)21(30)18-6-8-25-22(24)26-18/h2-9,14H,10-13H2,1H3,(H2,24,25,26)
InChIKeyXVQINWFFGGGWAK-UHFFFAOYSA-N
XLogP2.93
TPSA75.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 57469
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CID 46220502
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CID 1530
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CID 118023034
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CID 49971
CID 49971
CID 11198924
CID 11198924
CID 53262401
CID 53262401
CID 5164
CID 5164
CID 10297043
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CID 5172
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CID 51371303
CID 51371303
CID 51049607
CID 51049607

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24887878) is 4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN1CCN(c2ccn3c(-c4ccnc(N)n4)c(-c4ccc(F)cc4)nc3c2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is XVQINWFFGGGWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7/c1-28-10-12-29(13-11-28)17-7-9-30-19(14-17)27-20(15-2-4-16(23)5-3-15)21(30)18-6-8-25-22(24)26-18/h2-9,14H,10-13H2,1H3,(H2,24,25,26).
What are the key properties of 4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 403.47 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24887878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).