7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine

C21H24FN5 — CID 86342419

IUPAC7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine
SMILESFC1CCN(c2ccn3cc(-c4ccc(N5CCCC5)cc4)nc3n2)CC1
InChIInChI=1S/C21H24FN5/c22-17-7-12-26(13-8-17)20-9-14-27-15-19(23-21(27)24-20)16-3-5-18(6-4-16)25-10-1-2-11-25/h3-6,9,14-15,17H,1-2,7-8,10-13H2
InChIKeyKZRGQASLYZZZBQ-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.93
Rot. Bonds3

About 7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine

7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 86342419) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is 7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine
PubChem CID86342419
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine
SMILESFC1CCN(c2ccn3cc(-c4ccc(N5CCCC5)cc4)nc3n2)CC1
InChIInChI=1S/C21H24FN5/c22-17-7-12-26(13-8-17)20-9-14-27-15-19(23-21(27)24-20)16-3-5-18(6-4-16)25-10-1-2-11-25/h3-6,9,14-15,17H,1-2,7-8,10-13H2
InChIKeyKZRGQASLYZZZBQ-UHFFFAOYSA-N
XLogP3.93
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine (CID 86342419) is 7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine is FC1CCN(c2ccn3cc(-c4ccc(N5CCCC5)cc4)nc3n2)CC1.
What is the InChIKey of 7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is KZRGQASLYZZZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c22-17-7-12-26(13-8-17)20-9-14-27-15-19(23-21(27)24-20)16-3-5-18(6-4-16)25-10-1-2-11-25/h3-6,9,14-15,17H,1-2,7-8,10-13H2.
What are the key properties of 7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine?
7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 365.46 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 86342419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).